From ac915127f3b80e60797137db5472c6c3ba9a9244 Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Thu, 15 Sep 2022 12:23:29 +0200 Subject: [PATCH 01/14] Add new query for Devon's analysis --- src/indra_cogex/analyses/__init__.py | 0 src/indra_cogex/analyses/devon/__init__.py | 0 .../analyses/devon/devon_analysis.py | 78 + .../analyses/devon/example_data.csv | 2845 +++++++++++++++++ src/indra_cogex/client/enrichment/mla.py | 5 +- src/indra_cogex/client/enrichment/utils.py | 17 - src/indra_cogex/client/subnetwork.py | 149 +- src/indra_cogex/client/utils.py | 24 + src/indra_cogex/representation.py | 4 + 9 files changed, 3091 insertions(+), 31 deletions(-) create mode 100644 src/indra_cogex/analyses/__init__.py create mode 100644 src/indra_cogex/analyses/devon/__init__.py create mode 100644 src/indra_cogex/analyses/devon/devon_analysis.py create mode 100644 src/indra_cogex/analyses/devon/example_data.csv create mode 100644 src/indra_cogex/client/utils.py diff --git a/src/indra_cogex/analyses/__init__.py b/src/indra_cogex/analyses/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/src/indra_cogex/analyses/devon/__init__.py b/src/indra_cogex/analyses/devon/__init__.py new file mode 100644 index 000000000..e69de29bb diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py new file mode 100644 index 000000000..7dd02f901 --- /dev/null +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -0,0 +1,78 @@ +"""""" + +import pandas as pd + +from pathlib import Path +from protmapper import uniprot_client +from typing import Optional, Sequence, Iterable, Set +from indra.statements import Statement +from indra_cogex.client import queries, subnetwork +from indra_cogex.client import autoclient, Neo4jClient +import pystow +import pickle +from indra.assemblers.indranet import IndraNetAssembler + +HERE = Path(__file__).parent.resolve() +PATH = HERE.joinpath("example_data.csv") +OUTPUT_MODULE = pystow.module("indra", "cogex", "analysis", "devon") +STATEMENTS_PKL_PATH = OUTPUT_MODULE.join(name="statements.pkl") +STATEMENTS_DF_PATH = OUTPUT_MODULE.join(name="statements.tsv") + + +def _hgnc_from_stmts(stmts: Iterable[Statement]) -> Set[str]: + raise NotImplementedError + + +@autoclient() +def analysis(path: Path, target_hgnc_ids: set[str], *, client: Optional[Neo4jClient] = None): + df = _read_df(path) + measured = set(df[df.columns[0]]) + + pairs = [("hgnc", gene_id) for gene_id in target_hgnc_ids] + stmts = subnetwork.get_neighbor_network_statements( + pairs, client=client, node_prefix="hgnc", + minimum_evidence_count=10, + ) + STATEMENTS_PKL_PATH.write_bytes(pickle.dumps(stmts)) + + assembler = IndraNetAssembler(stmts) + stmts_df = assembler.make_df() + stmts_df.to_csv(STATEMENTS_DF_PATH, sep='\t', index=False) + + # neighbor_hgnc_ids = _hgnc_from_stmts(stmts) + + # overlap = measured.intersection(neighbor_hgnc_ids) + # unmeasured = measured.difference(neighbor_hgnc_ids) + + +def _read_df(path): + df = pd.read_csv(path, sep=",") + index_column = df.columns[0] + df[index_column] = df[index_column].map(uniprot_client.get_hgnc_id) + df = df[df[index_column].notna()] + return df + + +def main(): + # RAS RAF MEK ERK + query = [ + # RAS + "6407", # KRAS + "5173", # HRAS + "7989", # NRAS + # RAF + "1097", # BRAF + "646", # ARAF + "9829", # RAF1 + # MEK + "6840", # MAP2K1 + "6842", # MAP2K2 + # ERK + "6871", + "6877", + ] + analysis(path=PATH, target_hgnc_ids=query) + + +if __name__ == '__main__': + main() diff --git a/src/indra_cogex/analyses/devon/example_data.csv b/src/indra_cogex/analyses/devon/example_data.csv new file mode 100644 index 000000000..5c5e9306f --- /dev/null +++ b/src/indra_cogex/analyses/devon/example_data.csv @@ -0,0 +1,2845 @@ +,i10,i100,i1000,i1003,i1004,i1005,i1006,i1007,i1008,i101 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+Q9Y6X9,0.2577011,0.2849152,0.1159919,-0.2143476,0.05671528,-0.4451287,0.06785991,-0.2299437,-0.06856539,0.3448749 +Q9Y6Y8,-0.3555473,0.06210718,-0.007609638,0.2207919,0.2811069,-0.3250113,-0.1374949,0.7153944,-0.6899565,-0.07906369 diff --git a/src/indra_cogex/client/enrichment/mla.py b/src/indra_cogex/client/enrichment/mla.py index c42a8a84e..ec6eea9c3 100644 --- a/src/indra_cogex/client/enrichment/mla.py +++ b/src/indra_cogex/client/enrichment/mla.py @@ -14,11 +14,8 @@ from indra.statements import stmts_from_json from indra_cogex.client.enrichment.discrete import _do_ora -from indra_cogex.client.enrichment.utils import ( - minimum_belief_helper, - minimum_evidence_helper, -) from indra_cogex.client.neo4j_client import Neo4jClient +from indra_cogex.client.utils import minimum_belief_helper, minimum_evidence_helper __all__ = [ "get_metabolomics_sets", diff --git a/src/indra_cogex/client/enrichment/utils.py b/src/indra_cogex/client/enrichment/utils.py index ef1a83f16..90030741f 100644 --- a/src/indra_cogex/client/enrichment/utils.py +++ b/src/indra_cogex/client/enrichment/utils.py @@ -535,23 +535,6 @@ def get_entity_to_regulators( minimum_evidence_count=minimum_evidence_count, ) - -def minimum_evidence_helper( - minimum_evidence_count: Optional[float] = None, name: str = "r" -) -> str: - if minimum_evidence_count is None or minimum_evidence_count == 1: - return "" - return f"AND {name}.evidence_count >= {minimum_evidence_count}" - - -def minimum_belief_helper( - minimum_belief: Optional[float] = None, name: str = "r" -) -> str: - if minimum_belief is None or minimum_belief == 0.0: - return "" - return f"AND {name}.belief >= {minimum_belief}" - - # TODO should this include other statement types? is the mechanism linker applied before # importing the database into CoGEx? diff --git a/src/indra_cogex/client/subnetwork.py b/src/indra_cogex/client/subnetwork.py index e136149bf..6b85f7787 100644 --- a/src/indra_cogex/client/subnetwork.py +++ b/src/indra_cogex/client/subnetwork.py @@ -1,13 +1,21 @@ """Queries that generate statement subnetworks.""" import json -from typing import Any, Iterable, List, Tuple +from typing import Any, Iterable, List, Optional, Sequence, Tuple from indra.statements import Statement from .neo4j_client import Neo4jClient, autoclient from .queries import get_genes_for_go_term, get_genes_in_tissue -from ..representation import Relation, indra_stmts_from_relations, norm_id +from .utils import minimum_belief_helper, minimum_evidence_helper +from ..representation import ( + Relation, + get_nodes_str, + indra_stmts_from_relations, + node_query, + norm_id, + triple_query, +) __all__ = [ "indra_subnetwork", @@ -15,6 +23,8 @@ "indra_mediated_subnetwork", "indra_subnetwork_tissue", "indra_subnetwork_go", + "get_neighbor_network", + "get_neighbor_network_statements", ] @@ -37,15 +47,15 @@ def indra_subnetwork_relations( The subnetwork induced by the given nodes represented as Relation objects. """ - nodes_str = ", ".join(["'%s'" % norm_id(*node) for node in nodes]) - query = """MATCH p=(n1:BioEntity)-[r:indra_rel]->(n2:BioEntity) - WHERE n1.id IN [%s] - AND n2.id IN [%s] + nodes_str = get_nodes_str(nodes) + query = f"""\ + MATCH p=(n1:BioEntity)-[r:indra_rel]->(n2:BioEntity) + WHERE + n1.id IN [{nodes_str}] + AND n2.id IN [{nodes_str}] AND n1.id <> n2.id - RETURN p""" % ( - nodes_str, - nodes_str, - ) + RETURN p + """ return client.query_relations(query) @@ -326,3 +336,122 @@ def indra_subnetwork_go( # No deduplication of statements based on the union of # the queries should be necessary since each are disjoint return rv + + +@autoclient() +def get_neighbor_network( + nodes: Sequence[Tuple[str, str]], + *, + client: Neo4jClient, + upstream: bool = True, + downstream: bool = True, + node_prefix: Optional[str] = None, + minimum_evidence_count: Optional[int] = None, + minimum_belief: Optional[float] = None, +) -> List[Relation]: + """Get the subnetwork induced around the given nodes. + + Parameters + ---------- + client : + The Neo4j client. + nodes : + The nodes to query. + upstream : + Include predecessors (i.e., nodes that are sources in + relations where the target is a query nodes)? + downstream: + Include successors (i.e. nodes that are targets in + relations where the source is a query node)? + node_prefix: + The node prefix to return + minimum_evidence_count : + Minimum number of evidences to consider a causal relationship + minimum_belief : + Minimum belief to consider a causal relationship + """ + if not upstream and not downstream: + raise ValueError( + "must specify at least one of upstream and downstream to be true" + ) + nodes_str = get_nodes_str(nodes) + prefix_filter = f"AND n.id STARTS WITH {node_prefix}" if node_prefix else "" + evidence_line = minimum_evidence_helper(minimum_evidence_count) + belief_line = minimum_belief_helper(minimum_belief) + query = set(nodes) + if upstream: + match_clause = "MATCH (n:BioEntity)-[r:indra_rel]->(query:BioEntity)" + upstream_cypher = f"""\ + MATCH (n:BioEntity)-[r:indra_rel]->(query:BioEntity) + WHERE + query.id IN [{nodes_str}] + AND n.id <> query.id + {prefix_filter} + {belief_line} + {evidence_line} + RETURN DISTINCT n + """ + print("Upstream query:", upstream_cypher) + upstream_res = client.query_nodes(upstream_cypher) + if upstream_res is None: + raise ValueError + upstream_nodes = {upstream_node.grounding() for upstream_node in upstream_res} + print(f"got {len(upstream_nodes)} upstream nodes") + query.update(upstream_nodes) + if downstream: + downstream_cypher = f"""\ + MATCH (query:BioEntity)-[r:indra_rel]->(n:BioEntity) + WHERE + query.id IN [{nodes_str}] + AND n.id <> query.id + {prefix_filter} + {belief_line} + {evidence_line} + RETURN DISTINCT n + """ + print("downstream query", downstream_cypher) + downstream_res = client.query_nodes(downstream_cypher) + if downstream_res is None: + raise ValueError + downstream_nodes = { + downstream_node.grounding() for downstream_node in downstream_res + } + print(f"got {len(upstream_nodes)} downstream nodes") + query.update(downstream_nodes) + print(f"doign subnetwork query over {len(query)} nodes") + return indra_subnetwork_relations(nodes=sorted(query), client=client) + + +@autoclient() +def get_neighbor_network_statements( + nodes: Sequence[Tuple[str, str]], + *, + client: Neo4jClient, + upstream: bool = True, + downstream: bool = True, + node_prefix: Optional[str] = None, + minimum_evidence_count: Optional[int] = None, + minimum_belief: Optional[float] = None, +) -> List[Statement]: + """Get the subnetwork induced around the given nodes as INDRA statements. + + Parameters + ---------- + client : + The Neo4j client. + nodes : + The nodes to query. + kwargs : + remaining keyword arguments to pass through to :func:`get_neighbor_network` + """ + rels = get_neighbor_network( + nodes=nodes, + client=client, + upstream=upstream, + downstream=downstream, + node_prefix=node_prefix, + minimum_belief=minimum_belief, + minimum_evidence_count=minimum_evidence_count, + ) + stmts = indra_stmts_from_relations(rels) + return stmts diff --git a/src/indra_cogex/client/utils.py b/src/indra_cogex/client/utils.py new file mode 100644 index 000000000..2e927fa2b --- /dev/null +++ b/src/indra_cogex/client/utils.py @@ -0,0 +1,24 @@ +"""Utilities for the neo4j client and queries.""" + +from typing import Optional + +__all__ = [ + "minimum_belief_helper", + "minimum_evidence_helper", +] + + +def minimum_evidence_helper( + minimum_evidence_count: Optional[float] = None, name: str = "r" +) -> str: + if minimum_evidence_count is None or minimum_evidence_count == 1: + return "" + return f"AND {name}.evidence_count >= {minimum_evidence_count}" + + +def minimum_belief_helper( + minimum_belief: Optional[float] = None, name: str = "r" +) -> str: + if minimum_belief is None or minimum_belief == 0.0: + return "" + return f"AND {name}.belief >= {minimum_belief}" diff --git a/src/indra_cogex/representation.py b/src/indra_cogex/representation.py index 5931ebf5c..654e46207 100644 --- a/src/indra_cogex/representation.py +++ b/src/indra_cogex/representation.py @@ -433,6 +433,10 @@ def node_query( return rv +def get_nodes_str(nodes: Iterable[Tuple[str, str]]) -> str: + return ", ".join(["'%s'" % norm_id(*node) for node in nodes]) + + class StatementJSONDecodeError(Exception): pass From dee62ce7758f7b920f57cb2732377d0d42767cd7 Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Thu, 15 Sep 2022 12:53:41 +0200 Subject: [PATCH 02/14] Update queries --- .../analyses/devon/devon_analysis.py | 33 ++++++++++++------- src/indra_cogex/client/subnetwork.py | 32 ++++++++++++++---- 2 files changed, 48 insertions(+), 17 deletions(-) diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index 7dd02f901..417fb5e80 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -16,7 +16,7 @@ PATH = HERE.joinpath("example_data.csv") OUTPUT_MODULE = pystow.module("indra", "cogex", "analysis", "devon") STATEMENTS_PKL_PATH = OUTPUT_MODULE.join(name="statements.pkl") -STATEMENTS_DF_PATH = OUTPUT_MODULE.join(name="statements.tsv") +STATEMENTS_DF_PATH = OUTPUT_MODULE.join(name="indranet.tsv") def _hgnc_from_stmts(stmts: Iterable[Statement]) -> Set[str]: @@ -25,20 +25,31 @@ def _hgnc_from_stmts(stmts: Iterable[Statement]) -> Set[str]: @autoclient() def analysis(path: Path, target_hgnc_ids: set[str], *, client: Optional[Neo4jClient] = None): - df = _read_df(path) - measured = set(df[df.columns[0]]) - - pairs = [("hgnc", gene_id) for gene_id in target_hgnc_ids] - stmts = subnetwork.get_neighbor_network_statements( - pairs, client=client, node_prefix="hgnc", - minimum_evidence_count=10, - ) - STATEMENTS_PKL_PATH.write_bytes(pickle.dumps(stmts)) + if not STATEMENTS_PKL_PATH.is_file(): + df = _read_df(path) + measured = set(df[df.columns[0]]) + + pairs = [("hgnc", gene_id) for gene_id in target_hgnc_ids] + stmts = subnetwork.get_neighbor_network_statements( + pairs, client=client, node_prefix="hgnc", + minimum_evidence_count=8, + ) + STATEMENTS_PKL_PATH.write_bytes(pickle.dumps(stmts)) + else: + stmts = pickle.loads(STATEMENTS_PKL_PATH.read_bytes()) assembler = IndraNetAssembler(stmts) - stmts_df = assembler.make_df() + stmts_df = assembler.make_df(keep_self_loops=False).sort_values(["agA_name", "agB_name"]) + stmts_df = stmts_df[stmts_df["stmt_type"] != "Complex"] + stmts_df.drop_duplicates(subset=["stmt_hash"], inplace=True) stmts_df.to_csv(STATEMENTS_DF_PATH, sep='\t', index=False) + # This doesn't print stuff that makes sense + # assembler = SifAssembler(stmts) + # assembler.make_model() + # assembler.save_model(STATEMENTS_SIF_DF_PATH) + + # neighbor_hgnc_ids = _hgnc_from_stmts(stmts) # overlap = measured.intersection(neighbor_hgnc_ids) diff --git a/src/indra_cogex/client/subnetwork.py b/src/indra_cogex/client/subnetwork.py index 6b85f7787..9c65e8aac 100644 --- a/src/indra_cogex/client/subnetwork.py +++ b/src/indra_cogex/client/subnetwork.py @@ -1,6 +1,7 @@ """Queries that generate statement subnetworks.""" import json +from textwrap import dedent from typing import Any, Iterable, List, Optional, Sequence, Tuple from indra.statements import Statement @@ -30,7 +31,11 @@ @autoclient() def indra_subnetwork_relations( - nodes: Iterable[Tuple[str, str]], *, client: Neo4jClient + nodes: Iterable[Tuple[str, str]], + *, + client: Neo4jClient, + minimum_evidence_count: Optional[int] = None, + minimum_belief: Optional[float] = None, ) -> List[Relation]: """Return the subnetwork induced by the given nodes as a set of Relations. @@ -48,14 +53,20 @@ def indra_subnetwork_relations( objects. """ nodes_str = get_nodes_str(nodes) - query = f"""\ + evidence_line = minimum_evidence_helper(minimum_evidence_count) + belief_line = minimum_belief_helper(minimum_belief) + query = dedent( + f"""\ MATCH p=(n1:BioEntity)-[r:indra_rel]->(n2:BioEntity) WHERE n1.id IN [{nodes_str}] AND n2.id IN [{nodes_str}] AND n1.id <> n2.id + {belief_line} + {evidence_line} RETURN p """ + ) return client.query_relations(query) @@ -375,13 +386,14 @@ def get_neighbor_network( "must specify at least one of upstream and downstream to be true" ) nodes_str = get_nodes_str(nodes) - prefix_filter = f"AND n.id STARTS WITH {node_prefix}" if node_prefix else "" + prefix_filter = f"AND n.id STARTS WITH '{node_prefix}'" if node_prefix else "" evidence_line = minimum_evidence_helper(minimum_evidence_count) belief_line = minimum_belief_helper(minimum_belief) query = set(nodes) if upstream: match_clause = "MATCH (n:BioEntity)-[r:indra_rel]->(query:BioEntity)" - upstream_cypher = f"""\ + upstream_cypher = dedent( + f"""\ MATCH (n:BioEntity)-[r:indra_rel]->(query:BioEntity) WHERE query.id IN [{nodes_str}] @@ -391,6 +403,7 @@ def get_neighbor_network( {evidence_line} RETURN DISTINCT n """ + ) print("Upstream query:", upstream_cypher) upstream_res = client.query_nodes(upstream_cypher) if upstream_res is None: @@ -399,7 +412,8 @@ def get_neighbor_network( print(f"got {len(upstream_nodes)} upstream nodes") query.update(upstream_nodes) if downstream: - downstream_cypher = f"""\ + downstream_cypher = dedent( + f"""\ MATCH (query:BioEntity)-[r:indra_rel]->(n:BioEntity) WHERE query.id IN [{nodes_str}] @@ -409,6 +423,7 @@ def get_neighbor_network( {evidence_line} RETURN DISTINCT n """ + ) print("downstream query", downstream_cypher) downstream_res = client.query_nodes(downstream_cypher) if downstream_res is None: @@ -419,7 +434,12 @@ def get_neighbor_network( print(f"got {len(upstream_nodes)} downstream nodes") query.update(downstream_nodes) print(f"doign subnetwork query over {len(query)} nodes") - return indra_subnetwork_relations(nodes=sorted(query), client=client) + return indra_subnetwork_relations( + nodes=sorted(query), + client=client, + minimum_evidence_count=minimum_evidence_count, + minimum_belief=minimum_belief, + ) @autoclient() From 6f1c48595ecd82e0dc301971649d425fd05c11ce Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Thu, 15 Sep 2022 13:02:37 +0200 Subject: [PATCH 03/14] Update devon_analysis.py --- .../analyses/devon/devon_analysis.py | 23 ++++++++++--------- 1 file changed, 12 insertions(+), 11 deletions(-) diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index 417fb5e80..9e378b194 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -17,6 +17,8 @@ OUTPUT_MODULE = pystow.module("indra", "cogex", "analysis", "devon") STATEMENTS_PKL_PATH = OUTPUT_MODULE.join(name="statements.pkl") STATEMENTS_DF_PATH = OUTPUT_MODULE.join(name="indranet.tsv") +PROCESSED_PATH = OUTPUT_MODULE.join(name="example_data_processed.csv") + def _hgnc_from_stmts(stmts: Iterable[Statement]) -> Set[str]: @@ -25,10 +27,10 @@ def _hgnc_from_stmts(stmts: Iterable[Statement]) -> Set[str]: @autoclient() def analysis(path: Path, target_hgnc_ids: set[str], *, client: Optional[Neo4jClient] = None): - if not STATEMENTS_PKL_PATH.is_file(): - df = _read_df(path) - measured = set(df[df.columns[0]]) + df = _read_df(path) + measured = set(df["hgnc"]) + if not STATEMENTS_PKL_PATH.is_file(): pairs = [("hgnc", gene_id) for gene_id in target_hgnc_ids] stmts = subnetwork.get_neighbor_network_statements( pairs, client=client, node_prefix="hgnc", @@ -49,18 +51,17 @@ def analysis(path: Path, target_hgnc_ids: set[str], *, client: Optional[Neo4jCli # assembler.make_model() # assembler.save_model(STATEMENTS_SIF_DF_PATH) - - # neighbor_hgnc_ids = _hgnc_from_stmts(stmts) - - # overlap = measured.intersection(neighbor_hgnc_ids) - # unmeasured = measured.difference(neighbor_hgnc_ids) + neighbor_hgnc_ids = set(stmts_df["agA_id"]).union(stmts_df["agB_id"]) + df["in_neighbors"] = df["hgnc"].map(neighbor_hgnc_ids.__contains__) + df.to_csv(PROCESSED_PATH, sep="\t", index=False) def _read_df(path): df = pd.read_csv(path, sep=",") - index_column = df.columns[0] - df[index_column] = df[index_column].map(uniprot_client.get_hgnc_id) - df = df[df[index_column].notna()] + initial_columns = list(df.columns) + df["hgnc"] = df[initial_columns[0]].map(uniprot_client.get_hgnc_id) + df = df[df["hgnc"].notna()] + df = df[["hgnc", *initial_columns]] return df From 3eec44675c3bb7492971a9020ef805fc751ded6c Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Thu, 15 Sep 2022 14:14:57 +0200 Subject: [PATCH 04/14] Update devon_analysis.py --- src/indra_cogex/analyses/devon/devon_analysis.py | 13 +++++++++---- 1 file changed, 9 insertions(+), 4 deletions(-) diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index 9e378b194..48b89d935 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -17,7 +17,8 @@ OUTPUT_MODULE = pystow.module("indra", "cogex", "analysis", "devon") STATEMENTS_PKL_PATH = OUTPUT_MODULE.join(name="statements.pkl") STATEMENTS_DF_PATH = OUTPUT_MODULE.join(name="indranet.tsv") -PROCESSED_PATH = OUTPUT_MODULE.join(name="example_data_processed.csv") +PROCESSED_PATH = OUTPUT_MODULE.join(name="data.tsv") +PROCESSED_FILTERED_PATH = OUTPUT_MODULE.join(name="data_filtered.tsv") @@ -55,13 +56,17 @@ def analysis(path: Path, target_hgnc_ids: set[str], *, client: Optional[Neo4jCli df["in_neighbors"] = df["hgnc"].map(neighbor_hgnc_ids.__contains__) df.to_csv(PROCESSED_PATH, sep="\t", index=False) + df[df["in_neighbors"]].to_csv(PROCESSED_FILTERED_PATH, sep="\t", index=False) + def _read_df(path): df = pd.read_csv(path, sep=",") - initial_columns = list(df.columns) - df["hgnc"] = df[initial_columns[0]].map(uniprot_client.get_hgnc_id) + columns = list(df.columns) + columns[0] = "uniprot" + df.columns = columns + df["hgnc"] = df["uniprot"].map(uniprot_client.get_hgnc_id) df = df[df["hgnc"].notna()] - df = df[["hgnc", *initial_columns]] + df = df[["hgnc", *columns]] return df From 914cd2acce2536b07055bdf16d173f6a4fe6b1b1 Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Thu, 22 Sep 2022 15:54:49 +0200 Subject: [PATCH 05/14] Add second and third analyses --- .../analyses/devon/Exploratory_query.csv | 501 ++++++++++++++++++ .../analyses/devon/MAPK_downstream.csv | 23 + .../analyses/devon/devon_analysis.py | 62 ++- 3 files changed, 565 insertions(+), 21 deletions(-) create mode 100644 src/indra_cogex/analyses/devon/Exploratory_query.csv create mode 100644 src/indra_cogex/analyses/devon/MAPK_downstream.csv diff --git a/src/indra_cogex/analyses/devon/Exploratory_query.csv b/src/indra_cogex/analyses/devon/Exploratory_query.csv new file mode 100644 index 000000000..625d885df --- /dev/null +++ b/src/indra_cogex/analyses/devon/Exploratory_query.csv @@ -0,0 +1,501 @@ +Uniprot +A0A0D9SF12 +A0AVF1 +A1A4S6 +A5YKK6 +A6H8Y1 +A6NHQ2 +A6NHR9 +A6NNT2 +A8MUH7 +B7Z6K7 +C9JC47 +O00189 +O00192 +O00214 +O00400 +O00442 +O00507 +O00533 +O00746 +O00764 +O14607 +O14647 +O14908 +O15015 +O15062 +O15063 +O15066 +O15213 +O15230 +O15297 +O15327 +O15382 +O15440 +O43150 +O43252 +O43529 +O43683 +O43824 +O43847 +O60256 +O60381 +O60437 +O60493 +O60566 +O60636 +O60671 +O60706 +O75037 +O75343 +O75347 +O75381 +O75417 +O75489 +O75528 +O75569 +O75581 +O75717 +O75746 +O76031 +O94832 +O94913 +O94964 +O94986 +O95071 +O95399 +O95427 +O95562 +O95782 +O95789 +P00338 +P00558 +P00750 +P01023 +P04053 +P04075 +P04271 +P04406 +P05026 +P05091 +P05455 +P05496 +P06396 +P06703 +P06733 +P06748 +P07195 +P07437 +P07900 +P08238 +P08575 +P08908 +P09429 +P09619 +P0C881 +P10412 +P10619 +P10809 +P11142 +P11233 +P13639 +P14317 +P14543 +P14618 +P14735 +P15880 +P16104 +P16401 +P16402 +P16403 +P16860 +P16989 +P17066 +P17098 +P17655 +P17813 +P18124 +P18846 +P19338 +P20941 +P21817 +P22061 +P23515 +P23528 +P24043 +P24534 +P24928 +P26038 +P26373 +P26440 +P26641 +P28329 +P30679 +P31152 +P31947 +P34059 +P34896 +P35232 +P35579 +P36959 +P39019 +P39023 +P40121 +P46776 +P46781 +P46821 +P46976 +P47914 +P47985 +P48736 +P49207 +P49327 +P49642 +P50281 +P50416 +P51114 +P51452 +P52756 +P54277 +P54296 +P56377 +P57740 +P58335 +P58546 +P59923 +P60709 +P60981 +P61247 +P61254 +P61964 +P61981 +P62081 +P62241 +P62244 +P62249 +P62258 +P62273 +P62280 +P62328 +P62714 +P62753 +P62805 +P62807 +P62826 +P62888 +P62899 +P62917 +P62937 +P63104 +P63167 +P63220 +P63241 +P63267 +P68363 +P68371 +P68543 +P78318 +P78369 +P84098 +P98160 +P98164 +Q00341 +Q00722 +Q01085 +Q01581 +Q02809 +Q02878 +Q06190 +Q06830 +Q08378 +Q10587 +Q12768 +Q12778 +Q12889 +Q13023 +Q13439 +Q13451 +Q13596 +Q13617 +Q13825 +Q14185 +Q14197 +Q14240 +Q14246 +Q14247 +Q14315 +Q14562 +Q14671 +Q14674 +Q14690 +Q14896 +Q149M9 +Q15018 +Q15058 +Q15365 +Q15643 +Q15651 +Q15696 +Q15746 +Q16576 +Q16795 +Q16878 +Q2M1Z3 +Q2TB10 +Q4G0J3 +Q4KMG9 +Q4KWH8 +Q52LJ0 +Q52M58 +Q53EQ6 +Q53S08 +Q58FF8 +Q5BJF6 +Q5DID0 +Q5GH72 +Q5H9R7 +Q5HYM0 +Q5JSL3 +Q5JSP0 +Q5M9N0 +Q5RKV6 +Q5SRN2 +Q5T200 +Q5T7N2 +Q5TBA9 +Q5TC82 +Q5TZA2 +Q5UIP0 +Q5VT52 +Q5VTE0 +Q5VTU8 +Q5VWG9 +Q5W0B1 +Q68CK6 +Q68EM7 +Q6DHV5 +Q6GQQ9 +Q6MZP7 +Q6NUQ4 +Q6NVV3 +Q6NZI2 +Q6P2C0 +Q6P2H3 +Q6PJT7 +Q6PL18 +Q6R2W3 +Q6UN15 +Q6UVJ0 +Q6W2J9 +Q6ZN06 +Q6ZTR5 +Q6ZUL3 +Q6ZVT6 +Q6ZWB6 +Q71DI3 +Q75T13 +Q7KZ85 +Q7RTY8 +Q7Z403 +Q7Z5L9 +Q7Z6E9 +Q86SQ7 +Q86T90 +Q86TE4 +Q86UP2 +Q86UU1 +Q86VV8 +Q86WT6 +Q86X95 +Q8IU81 +Q8IUG5 +Q8IUL8 +Q8IUR6 +Q8IUX7 +Q8IV33 +Q8IVF2 +Q8IVF5 +Q8IVT5 +Q8IVU1 +Q8IVV2 +Q8IY85 +Q8IYJ3 +Q8IYM0 +Q8IYT4 +Q8IYV9 +Q8IZH2 +Q8IZU8 +Q8N137 +Q8N271 +Q8N283 +Q8N5N7 +Q8N684 +Q8N6H7 +Q8N766 +Q8N7Z2 +Q8N895 +Q8N9Z2 +Q8NEV8 +Q8NEY8 +Q8NEZ4 +Q8NFH5 +Q8NFJ8 +Q8NH94 +Q8NHU3 +Q8TAV3 +Q8TC59 +Q8TC84 +Q8TCT9 +Q8TD57 +Q8TDI7 +Q8TDW7 +Q8TE73 +Q8TEB1 +Q8TEQ6 +Q8TER0 +Q8TEU7 +Q8WUY3 +Q8WVB6 +Q8WVV9 +Q8WW22 +Q8WWM9 +Q8WXE1 +Q8WXI7 +Q8WYA6 +Q8WYJ6 +Q8WZA1 +Q92504 +Q92526 +Q92615 +Q92813 +Q92914 +Q92954 +Q93009 +Q93045 +Q969Q0 +Q96BN6 +Q96EV2 +Q96I24 +Q96IJ6 +Q96JP2 +Q96K58 +Q96K83 +Q96KG9 +Q96LB8 +Q96LP6 +Q96M86 +Q96N53 +Q96N67 +Q96P48 +Q96P70 +Q96PN6 +Q96QB1 +Q96QH2 +Q96RJ0 +Q96RL7 +Q96T52 +Q99439 +Q99541 +Q99615 +Q99623 +Q99805 +Q99985 +Q9BPW5 +Q9BQ52 +Q9BQE3 +Q9BQF6 +Q9BQT9 +Q9BRD0 +Q9BRP8 +Q9BS26 +Q9BSJ8 +Q9BTE3 +Q9BV57 +Q9BV94 +Q9BW19 +Q9BWJ5 +Q9BXF3 +Q9BZD4 +Q9BZK7 +Q9BZX2 +Q9GZT3 +Q9GZW5 +Q9GZX7 +Q9H0C8 +Q9H223 +Q9H299 +Q9H2C0 +Q9H2V7 +Q9H3S7 +Q9H461 +Q9H6Q4 +Q9H8H2 +Q9HBL0 +Q9HBL8 +Q9HCC0 +Q9HCL0 +Q9NPE2 +Q9NPL8 +Q9NPR9 +Q9NQV6 +Q9NQX4 +Q9NR45 +Q9NS00 +Q9NS87 +Q9NTW7 +Q9NVC6 +Q9NVR7 +Q9NVU7 +Q9NX47 +Q9NY30 +Q9NYL9 +Q9NYQ3 +Q9NYQ8 +Q9NZJ4 +Q9NZN1 +Q9NZN9 +Q9NZT2 +Q9P013 +Q9P016 +Q9P0W8 +Q9P2D6 +Q9P2H3 +Q9P2P5 +Q9P2R7 +Q9UEY8 +Q9UFE4 +Q9UHH9 +Q9UHR5 +Q9UIC8 +Q9UJC3 +Q9UKL3 +Q9UKV0 +Q9UL51 +Q9ULG1 +Q9ULI1 +Q9ULL4 +Q9ULL5 +Q9ULS6 +Q9UNE7 +Q9UNF0 +Q9UNX4 +Q9UPA5 +Q9Y261 +Q9Y285 +Q9Y2F5 +Q9Y2U5 +Q9Y334 +Q9Y397 +Q9Y3R5 +Q9Y463 +Q9Y4B5 +Q9Y4C4 +Q9Y4G6 +Q9Y5B0 +Q9Y5H5 +Q9Y5N1 +Q9Y653 +Q9Y6C2 +Q9Y6M1 +Q9Y6R4 +Q9Y6X9 diff --git a/src/indra_cogex/analyses/devon/MAPK_downstream.csv b/src/indra_cogex/analyses/devon/MAPK_downstream.csv new file mode 100644 index 000000000..a2818345b --- /dev/null +++ b/src/indra_cogex/analyses/devon/MAPK_downstream.csv @@ -0,0 +1,23 @@ +Uniprot +P28482 +P27361 +O75582 +O75676 +O43524 +Q07869 +P28562 +Q13972 +P16220 +P18846 +Q6NXT2 +P50549 +P05114 +P14921 +P15036 +P19419 +O15164 +P17480 +P26367 +P42224 +P40763 +P19838 diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index 48b89d935..4662800dc 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -1,5 +1,6 @@ """""" +import bioregistry import pandas as pd from pathlib import Path @@ -15,48 +16,64 @@ HERE = Path(__file__).parent.resolve() PATH = HERE.joinpath("example_data.csv") OUTPUT_MODULE = pystow.module("indra", "cogex", "analysis", "devon") -STATEMENTS_PKL_PATH = OUTPUT_MODULE.join(name="statements.pkl") -STATEMENTS_DF_PATH = OUTPUT_MODULE.join(name="indranet.tsv") -PROCESSED_PATH = OUTPUT_MODULE.join(name="data.tsv") -PROCESSED_FILTERED_PATH = OUTPUT_MODULE.join(name="data_filtered.tsv") - -def _hgnc_from_stmts(stmts: Iterable[Statement]) -> Set[str]: - raise NotImplementedError +def get_query(fname: str) -> Set[str]: + """Get the query HGNC identifier set from one of the files in this directory by name.""" + prefix, *lines = HERE.joinpath(fname).read_text().splitlines() + lines = {line.strip() for line in lines if line.strip()} + norm_prefix = bioregistry.normalize_prefix(prefix) + if norm_prefix is None: + raise ValueError(f"invalid prefix: {prefix}") + if norm_prefix == "hgnc": + return lines + elif norm_prefix == "uniprot": + return { + uniprot_client.get_hgnc_id(line) + for line in lines + } + else: + raise ValueError(f"unhandled prefix: {norm_prefix}") @autoclient() -def analysis(path: Path, target_hgnc_ids: set[str], *, client: Optional[Neo4jClient] = None): - df = _read_df(path) +def analysis_hgnc( + data_path: Path, + target_hgnc_ids: Iterable[str], *, + analysis_id: str, + client: Optional[Neo4jClient] = None, +): + analysis_module = OUTPUT_MODULE.module(analysis_id) + statements_pkl_path = analysis_module.join(name="statements.pkl") + statements_df_path = analysis_module.join(name="indranet.tsv") + processed_path = analysis_module.join(name="data.tsv") + processed_filtered_path = analysis_module.join(name="data_filtered.tsv") + + target_hgnc_ids = set(target_hgnc_ids) + df = _read_df(data_path) measured = set(df["hgnc"]) - if not STATEMENTS_PKL_PATH.is_file(): + if not statements_pkl_path.is_file(): pairs = [("hgnc", gene_id) for gene_id in target_hgnc_ids] stmts = subnetwork.get_neighbor_network_statements( pairs, client=client, node_prefix="hgnc", minimum_evidence_count=8, ) - STATEMENTS_PKL_PATH.write_bytes(pickle.dumps(stmts)) + statements_pkl_path.write_bytes(pickle.dumps(stmts)) else: - stmts = pickle.loads(STATEMENTS_PKL_PATH.read_bytes()) + stmts = pickle.loads(statements_pkl_path.read_bytes()) assembler = IndraNetAssembler(stmts) stmts_df = assembler.make_df(keep_self_loops=False).sort_values(["agA_name", "agB_name"]) stmts_df = stmts_df[stmts_df["stmt_type"] != "Complex"] stmts_df.drop_duplicates(subset=["stmt_hash"], inplace=True) - stmts_df.to_csv(STATEMENTS_DF_PATH, sep='\t', index=False) - - # This doesn't print stuff that makes sense - # assembler = SifAssembler(stmts) - # assembler.make_model() - # assembler.save_model(STATEMENTS_SIF_DF_PATH) + stmts_df.to_csv(statements_df_path, sep='\t', index=False) neighbor_hgnc_ids = set(stmts_df["agA_id"]).union(stmts_df["agB_id"]) df["in_neighbors"] = df["hgnc"].map(neighbor_hgnc_ids.__contains__) - df.to_csv(PROCESSED_PATH, sep="\t", index=False) + df.to_csv(processed_path, sep="\t", index=False) - df[df["in_neighbors"]].to_csv(PROCESSED_FILTERED_PATH, sep="\t", index=False) + df[df["in_neighbors"]].to_csv(processed_filtered_path, sep="\t", index=False) def _read_df(path): @@ -88,7 +105,10 @@ def main(): "6871", "6877", ] - analysis(path=PATH, target_hgnc_ids=query) + client = Neo4jClient() + analysis_hgnc(data_path=PATH, target_hgnc_ids=query, analysis_id="simple", client=client) + analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query("Exploratory_query.csv"), analysis_id="exploratory", client=client) + analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query("MAPK_downstream.csv"), analysis_id="mapk_downstream", client=client) if __name__ == '__main__': From 5cb93bee734e8408b875ed285fdf11ba1f77dab4 Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Tue, 21 Feb 2023 19:51:44 +0100 Subject: [PATCH 06/14] Add more analysis --- .../analyses/devon/devon_analysis.py | 21 +- src/indra_cogex/analyses/devon/gene_list.csv | 3708 +++++++++++++++++ src/indra_cogex/client/subnetwork.py | 6 +- 3 files changed, 3731 insertions(+), 4 deletions(-) create mode 100644 src/indra_cogex/analyses/devon/gene_list.csv diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index 4662800dc..3ba52a46f 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -36,6 +36,23 @@ def get_query(fname: str) -> Set[str]: raise ValueError(f"unhandled prefix: {norm_prefix}") +def get_query_from_tsv(fname, *, column, sep=',') -> Set[str]: + """Get a gene list query from a TSV file""" + df = pd.read_csv(fname, sep=sep) + df = df[df[column].notna()] + lines = set(df[column]) + if column == "hgnc": + return lines + elif column == "uniprot": + rv = { + uniprot_client.get_hgnc_id(line) + for line in lines + } + return {r for r in rv if r} + else: + raise ValueError(f"unhandled column: {column}") + + @autoclient() def analysis_hgnc( data_path: Path, @@ -51,7 +68,7 @@ def analysis_hgnc( target_hgnc_ids = set(target_hgnc_ids) df = _read_df(data_path) - measured = set(df["hgnc"]) + # measured = set(df["hgnc"]) if not statements_pkl_path.is_file(): pairs = [("hgnc", gene_id) for gene_id in target_hgnc_ids] @@ -108,6 +125,8 @@ def main(): client = Neo4jClient() analysis_hgnc(data_path=PATH, target_hgnc_ids=query, analysis_id="simple", client=client) analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query("Exploratory_query.csv"), analysis_id="exploratory", client=client) + analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query_from_tsv("gene_list.csv", column="uniprot"), analysis_id="slavov", client=client) + analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query("MAPK_downstream.csv"), analysis_id="mapk_downstream", client=client) analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query("MAPK_downstream.csv"), analysis_id="mapk_downstream", client=client) diff --git a/src/indra_cogex/analyses/devon/gene_list.csv b/src/indra_cogex/analyses/devon/gene_list.csv new file mode 100644 index 000000000..1da665168 --- /dev/null +++ b/src/indra_cogex/analyses/devon/gene_list.csv @@ -0,0 +1,3708 @@ +"db","uniprot","gene" +"sp","P36578","RL4" +"sp","Q9ULW3","ABT1" +"sp","P08574","CY1" +"sp","Q9H3U1","UN45A" +"sp","Q9UNF1","MAGD2" +"sp","Q9NQP4","PFD4" +"sp","P40855","PEX19" +"sp","Q96P70","IPO9" +"sp","P18887","XRCC1" +"sp","P04899","GNAI2" +"sp","Q17RB8","LONF1" +"sp","P07954","FUMH" +"sp","Q9Y490","TLN1" +"sp","O94826","TOM70" +"sp","P52815","RM12" +"sp","Q96MW7","TIGD1" +"sp","Q9Y5V0","ZN706" +"sp","Q8N3Y3","LARG2" +"sp","P31948","STIP1" +"sp","Q5JRA6","TGO1" +"sp","P31350","RIR2" +"sp","Q12765","SCRN1" +"sp","Q9NVA2","SEP11" +"sp","P49591","SYSC" +"sp","P52788","SPSY" +"sp","Q5TIE3","VW5B1" +"sp","P08559","ODPA" +"sp","Q99733","NP1L4" +"sp","Q86XX4","FRAS1" +"sp","Q9NWH9","SLTM" +"sp","Q9UDW1","QCR9" +"sp","P19338","NUCL" +"sp","P49006","MRP" +"sp","Q7KZF4","SND1" +"sp","P19404","NDUV2" +"sp","O95336","6PGL" +"sp","Q9Y2S7","PDIP2" +"sp","P06753","TPM3" +"sp","Q14980","NUMA1" +"sp","Q92616","GCN1" +"sp","P55060","XPO2" +"CON__Q3SX28;sp","P09493","TPM1" +"sp","Q9UIW2","PLXA1" +"sp","P67809","YBOX1" +"sp","Q5JST6","EFHC2" +"sp","P12270","TPR" +"sp","Q6DHV5","C2D2B" +"sp","O15400","STX7" +"sp","O75569","PRKRA" +"sp","Q8N163","CCAR2" +"sp","O94776","MTA2" +"sp","P55884","EIF3B" +"sp","Q13330","MTA1" +"sp","P06454","PTMA" +"sp","P20962","PTMS" +"sp","P11586","C1TC" +"sp","P29966","MARCS" +"sp","Q1KMD3","HNRL2" +"sp","Q9Y613","FHOD1" +"sp","Q9UHB6","LIMA1" +"sp","Q12907","LMAN2" +"sp","O76041","NEBL" +"sp","Q8WXH0","SYNE2" +"sp","Q9NR33","DPOE4" +"sp","Q9NU02","ANKE1" +"sp","Q9BY12","SCAPE" +"sp","Q9Y620","RA54B" +"sp","A6NJU9","NPB13" +"sp","O75909","CCNK" +"sp","Q9UHD8","SEPT9" +"sp","Q01780","EXOSX" +"sp","P49327","FAS" +"sp","O76021","RL1D1" +"sp","P53985","MOT1" +"sp","P52272","HNRPM" +"sp","Q8N4A0","GALT4" +"sp","Q96PN7","TREF1" +"sp","P27708","PYR1" 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+"sp","P07900","HS90A" +"sp","O43768","ENSA" +"sp","P54709","AT1B3" +"sp","O75475","PSIP1" +"sp","Q9BWJ5","SF3B5" +"sp","Q86SJ6","DSG4" +"sp","Q05048","CSTF1" +"sp","P07437","TBB5" +"sp","P62987","RL40" +"sp","P63267","ACTH" +"sp","O14756","H17B6" +"sp","Q16718","NDUA5" diff --git a/src/indra_cogex/client/subnetwork.py b/src/indra_cogex/client/subnetwork.py index 9c65e8aac..790f8a660 100644 --- a/src/indra_cogex/client/subnetwork.py +++ b/src/indra_cogex/client/subnetwork.py @@ -409,7 +409,7 @@ def get_neighbor_network( if upstream_res is None: raise ValueError upstream_nodes = {upstream_node.grounding() for upstream_node in upstream_res} - print(f"got {len(upstream_nodes)} upstream nodes") + print(f"got {len(upstream_nodes):,} upstream nodes") query.update(upstream_nodes) if downstream: downstream_cypher = dedent( @@ -431,9 +431,9 @@ def get_neighbor_network( downstream_nodes = { downstream_node.grounding() for downstream_node in downstream_res } - print(f"got {len(upstream_nodes)} downstream nodes") + print(f"got {len(upstream_nodes):,} downstream nodes") query.update(downstream_nodes) - print(f"doign subnetwork query over {len(query)} nodes") + print(f"doing subnetwork query over {len(query):,} nodes") return indra_subnetwork_relations( nodes=sorted(query), client=client, From aba23266f3ce14ee024ab1f8912a0e368ce8d694 Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Mon, 10 Apr 2023 16:46:49 +0200 Subject: [PATCH 07/14] Reorganize files for vartika analysis --- .../devon/{ => devon}/Exploratory_query.csv | 0 .../devon/{ => devon}/MAPK_downstream.csv | 0 .../devon/{ => devon}/example_data.csv | 0 .../analyses/devon/{ => devon}/gene_list.csv | 0 .../analyses/devon/devon_analysis.py | 133 ++++++++++++------ .../analyses/devon/vartika/CRC_silvia_1.xlsx | Bin 0 -> 17126 bytes .../analyses/devon/vartika/OV_ruth_1.csv | 69 +++++++++ .../analyses/devon/vartika/README.md | 29 ++++ 8 files changed, 188 insertions(+), 43 deletions(-) rename src/indra_cogex/analyses/devon/{ => devon}/Exploratory_query.csv (100%) rename src/indra_cogex/analyses/devon/{ => devon}/MAPK_downstream.csv (100%) rename src/indra_cogex/analyses/devon/{ => devon}/example_data.csv (100%) rename src/indra_cogex/analyses/devon/{ => devon}/gene_list.csv (100%) create mode 100644 src/indra_cogex/analyses/devon/vartika/CRC_silvia_1.xlsx create mode 100644 src/indra_cogex/analyses/devon/vartika/OV_ruth_1.csv create mode 100644 src/indra_cogex/analyses/devon/vartika/README.md diff --git a/src/indra_cogex/analyses/devon/Exploratory_query.csv b/src/indra_cogex/analyses/devon/devon/Exploratory_query.csv similarity index 100% rename from src/indra_cogex/analyses/devon/Exploratory_query.csv rename to src/indra_cogex/analyses/devon/devon/Exploratory_query.csv diff --git a/src/indra_cogex/analyses/devon/MAPK_downstream.csv b/src/indra_cogex/analyses/devon/devon/MAPK_downstream.csv similarity index 100% rename from src/indra_cogex/analyses/devon/MAPK_downstream.csv rename to src/indra_cogex/analyses/devon/devon/MAPK_downstream.csv diff --git a/src/indra_cogex/analyses/devon/example_data.csv b/src/indra_cogex/analyses/devon/devon/example_data.csv similarity index 100% rename from src/indra_cogex/analyses/devon/example_data.csv rename to src/indra_cogex/analyses/devon/devon/example_data.csv diff --git a/src/indra_cogex/analyses/devon/gene_list.csv b/src/indra_cogex/analyses/devon/devon/gene_list.csv similarity index 100% rename from src/indra_cogex/analyses/devon/gene_list.csv rename to src/indra_cogex/analyses/devon/devon/gene_list.csv diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index 3ba52a46f..07b2051f3 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -1,20 +1,21 @@ -"""""" +"""Run Vitek lab analysis - get PKN based on mass spec results.""" + +import logging +import pickle +from pathlib import Path +from typing import Iterable, Optional, Set, Union import bioregistry import pandas as pd - -from pathlib import Path -from protmapper import uniprot_client -from typing import Optional, Sequence, Iterable, Set -from indra.statements import Statement -from indra_cogex.client import queries, subnetwork -from indra_cogex.client import autoclient, Neo4jClient import pystow -import pickle from indra.assemblers.indranet import IndraNetAssembler +from protmapper import uniprot_client + +from indra_cogex.client import Neo4jClient, autoclient, subnetwork +logger = logging.getLogger(__name__) HERE = Path(__file__).parent.resolve() -PATH = HERE.joinpath("example_data.csv") +PATH = HERE.joinpath("devon/example_data.csv") OUTPUT_MODULE = pystow.module("indra", "cogex", "analysis", "devon") @@ -28,26 +29,29 @@ def get_query(fname: str) -> Set[str]: if norm_prefix == "hgnc": return lines elif norm_prefix == "uniprot": - return { - uniprot_client.get_hgnc_id(line) - for line in lines - } + return {uniprot_client.get_hgnc_id(line) for line in lines} else: raise ValueError(f"unhandled prefix: {norm_prefix}") -def get_query_from_tsv(fname, *, column, sep=',') -> Set[str]: +def get_query_from_tsv(fname, *, column, sep=",") -> Set[str]: """Get a gene list query from a TSV file""" df = pd.read_csv(fname, sep=sep) + return _get_query_from_df(df, column=column) + + +def get_query_from_xlsx(fname, *, column: str) -> Set[str]: + df = pd.read_excel(fname) + return _get_query_from_df(df, column=column) + + +def _get_query_from_df(df: pd.DataFrame, column) -> Set[str]: df = df[df[column].notna()] lines = set(df[column]) if column == "hgnc": return lines - elif column == "uniprot": - rv = { - uniprot_client.get_hgnc_id(line) - for line in lines - } + elif column in {"uniprot", "UniprotID"}: + rv = {uniprot_client.get_hgnc_id(line) for line in lines} return {r for r in rv if r} else: raise ValueError(f"unhandled column: {column}") @@ -55,25 +59,26 @@ def get_query_from_tsv(fname, *, column, sep=',') -> Set[str]: @autoclient() def analysis_hgnc( - data_path: Path, - target_hgnc_ids: Iterable[str], *, + target_hgnc_ids: Iterable[str], + *, + data_path: Optional[Path] = None, analysis_id: str, client: Optional[Neo4jClient] = None, ): + logger.info("running analysis: %s", analysis_id) analysis_module = OUTPUT_MODULE.module(analysis_id) statements_pkl_path = analysis_module.join(name="statements.pkl") statements_df_path = analysis_module.join(name="indranet.tsv") processed_path = analysis_module.join(name="data.tsv") - processed_filtered_path = analysis_module.join(name="data_filtered.tsv") target_hgnc_ids = set(target_hgnc_ids) - df = _read_df(data_path) - # measured = set(df["hgnc"]) if not statements_pkl_path.is_file(): pairs = [("hgnc", gene_id) for gene_id in target_hgnc_ids] stmts = subnetwork.get_neighbor_network_statements( - pairs, client=client, node_prefix="hgnc", + pairs, + client=client, + node_prefix="hgnc", minimum_evidence_count=8, ) statements_pkl_path.write_bytes(pickle.dumps(stmts)) @@ -81,19 +86,27 @@ def analysis_hgnc( stmts = pickle.loads(statements_pkl_path.read_bytes()) assembler = IndraNetAssembler(stmts) - stmts_df = assembler.make_df(keep_self_loops=False).sort_values(["agA_name", "agB_name"]) + stmts_df = assembler.make_df(keep_self_loops=False).sort_values( + ["agA_name", "agB_name"] + ) stmts_df = stmts_df[stmts_df["stmt_type"] != "Complex"] stmts_df.drop_duplicates(subset=["stmt_hash"], inplace=True) - stmts_df.to_csv(statements_df_path, sep='\t', index=False) - - neighbor_hgnc_ids = set(stmts_df["agA_id"]).union(stmts_df["agB_id"]) - df["in_neighbors"] = df["hgnc"].map(neighbor_hgnc_ids.__contains__) - df.to_csv(processed_path, sep="\t", index=False) - - df[df["in_neighbors"]].to_csv(processed_filtered_path, sep="\t", index=False) + stmts_df.to_csv(statements_df_path, sep="\t", index=False) + + if data_path is not None: + data_df = _read_df(data_path) + # measured = set(df["hgnc"]) + neighbor_hgnc_ids = set(stmts_df["agA_id"]).union(stmts_df["agB_id"]) + data_df["in_neighbors"] = data_df["hgnc"].map(neighbor_hgnc_ids.__contains__) + data_df.to_csv(processed_path, sep="\t", index=False) + processed_filtered_path = analysis_module.join(name="data_filtered.tsv") + data_df[data_df["in_neighbors"]].to_csv( + processed_filtered_path, sep="\t", index=False + ) -def _read_df(path): +def _read_df(path: Union[str, Path]) -> pd.DataFrame: + path = Path(path).resolve() df = pd.read_csv(path, sep=",") columns = list(df.columns) columns[0] = "uniprot" @@ -123,12 +136,46 @@ def main(): "6877", ] client = Neo4jClient() - analysis_hgnc(data_path=PATH, target_hgnc_ids=query, analysis_id="simple", client=client) - analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query("Exploratory_query.csv"), analysis_id="exploratory", client=client) - analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query_from_tsv("gene_list.csv", column="uniprot"), analysis_id="slavov", client=client) - analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query("MAPK_downstream.csv"), analysis_id="mapk_downstream", client=client) - analysis_hgnc(data_path=PATH, target_hgnc_ids=get_query("MAPK_downstream.csv"), analysis_id="mapk_downstream", client=client) - - -if __name__ == '__main__': + analysis_hgnc( + data_path=PATH, target_hgnc_ids=query, analysis_id="simple", client=client + ) + analysis_hgnc( + target_hgnc_ids=get_query_from_tsv("vartika/OV_ruth_1.csv", column="UniprotID"), + analysis_id="huettenhain", + client=client, + ) + analysis_hgnc( + target_hgnc_ids=get_query_from_xlsx( + "vartika/CRC_silvia_1.xlsx", column="UniprotID" + ), + analysis_id="surinova", + client=client, + ) + analysis_hgnc( + data_path=PATH, + target_hgnc_ids=get_query("devon/Exploratory_query.csv"), + analysis_id="exploratory", + client=client, + ) + analysis_hgnc( + data_path=PATH, + target_hgnc_ids=get_query_from_tsv("devon/gene_list.csv", column="uniprot"), + analysis_id="slavov", + client=client, + ) + analysis_hgnc( + data_path=PATH, + target_hgnc_ids=get_query("devon/MAPK_downstream.csv"), + analysis_id="mapk_downstream", + client=client, + ) + analysis_hgnc( + data_path=PATH, + target_hgnc_ids=get_query("devon/MAPK_downstream.csv"), + analysis_id="mapk_downstream", + client=client, + ) + + +if __name__ == "__main__": main() diff --git a/src/indra_cogex/analyses/devon/vartika/CRC_silvia_1.xlsx b/src/indra_cogex/analyses/devon/vartika/CRC_silvia_1.xlsx new file mode 100644 index 0000000000000000000000000000000000000000..fc8350029b814ade12287af58159a3026794d1aa GIT binary patch literal 17126 zcmeHvgxkq3vs0D%I50RaIa1u;3vvNQk%0r?C80)h?#1EwqPVDD;f z?`o*wS95Wyp?$p-(r+osuY3YJPztZ zqf-@X?@sJ3Hq`}KS-k=x9#O<{F|D~P(8iWNvYn4uR@&Ru28H)FsUbuK_P1*q;Bzzg z^c_*QVdEw^>u8_mVBm|e;u;#pe8>Pvb*k%9dEp=KGwFc*h6!}&c zntJvbBU7*yme9{FNXw(EP))7eM2Z}El|_+P#X7y8ZRp#4^nASAXkw$TR2~|+Ff9!k zbpaxQq(PH&ASyOd)mT5-?8kh&g)zS=44rk7EI(4NqZ4$m;+r)B;y#-x;gH!etmX9q 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+ICAM1_HUMAN,P05362,ICAM1 +ICAM2_HUMAN,P13598,ICAM2 +IGHG2_HUMAN,P01859,IGHG2 +ITIH2_HUMAN,P19823,ITIH2 IGHEP2 +ITIH4_HUMAN,Q14624,ITIH4 IHRP ITIHL1 PK120 PRO1851 +KLKB1_HUMAN,P03952,KLKB1 KLK3 +KNG1_HUMAN,P01042,KNG1 BDK KNG +L1CAM_HUMAN,P32004,L1CAM CAML1 MIC5 +LAMC1_HUMAN,P11047,LAMC1 LAMB2 +LAMP1_HUMAN,P11279,LAMP1 +LUM_HUMAN,P51884,LUM LDC SLRR2D +MFAP4_HUMAN,P55083,MFAP4 +MRC2_HUMAN,Q9UBG0,MRC2 CLEC13E ENDO180 KIAA0709 UPARAP +NCAM1_HUMAN,P13591,NCAM1 NCAM +PLTP_HUMAN,P55058,PLTP +PON1_HUMAN,P27169,PON1 PON +PRG4_HUMAN,Q92954,PRG4 MSF SZP +STAB1_HUMAN,Q9NY15,STAB1 FEEL1 KIAA0246 +TIMP1_HUMAN,P01033,TIMP1 CLGI TIMP +PCYOX1,Q9UHG3,PCYOX1 KIAA0908 PCL1 UNQ597/PRO1183 +CPE,P16870,CPE +PGCP,Q9Y646,CPQ LCH1 PGCP +CHL1,O00533,CHL1 CALL +CHL1,Q96FC9,DDX11 CHL1 CHLR1 KRG2 +IGFBP3,P17936,IGFBP3 IBP3 +SERPINA10,Q9UK55,SERPINA10 ZPI UNQ707/PRO1358 +TNC,P24821,TNC HXB +SLC3A2,P08195,SLC3A2 MDU1 +HP,P00738,HP +C20orf3,Q9HDC9,APMAP C20orf3 UNQ1869/PRO4305 +CD163,Q86VB7,CD163 M130 +CP,P00450,CP +CDH5,P33151,CDH5 +LGALS3BP,Q08380,LGALS3BP M2BP +SERPINA7,P05543,SERPINA7 TBG +AHSG,P02765,AHSG FETUA PRO2743 +SERPINA6,P08185,SERPINA6 CBG +THBS1,P07996,THBS1 TSP TSP1 +CA125,Q8WXI7,MUC16 CA125 +FN1,P02751,FN1 FN +VTN,P04004,VTN +SERPINA3,P01011,SERPINA3 AACT GIG24 GIG25 +F11,P03951,F11 +AFM,P43652,AFM ALB2 ALBA +CTBS,Q01459,CTBS CTB +CTSD,P07339,CTSD CPSD +PVRL1,Q15223,NECTIN1 HVEC PRR1 PVRL1 +LRG1,P02750,LRG1 LRG +CFP,P27918,CFP PFC +F5,P12259,F5 +CFH,P08603,CFH HF HF1 HF2 +COL6A6,A6NMZ7,COL6A6 +SIRPA,P78324,SIRPA BIT MFR MYD1 PTPNS1 SHPS1 SIRP +LCN2,P80188,LCN2 HNL NGAL +CDH13,P55290,CDH13 CDHH \ No newline at end of file diff --git a/src/indra_cogex/analyses/devon/vartika/README.md b/src/indra_cogex/analyses/devon/vartika/README.md new file mode 100644 index 000000000..afa8e931f --- /dev/null +++ b/src/indra_cogex/analyses/devon/vartika/README.md @@ -0,0 +1,29 @@ +The two datasets I am using are ovarian cancer and colorectal cancer . The details of those are as follows: + +## Dataset 1: (Ovarian cancer) + +File: OV_ruth_1.csv + + +1 what instrument was used to make it / what methodology was used: + SRM + TSQ Vantage,QTRAP 5500,4000 QTRAP +2 who made the data/what’s their affiliation +Ruth Hüttenhain, Department of Biology, Institute of Molecular Systems Biology, ETH Zurich +https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6731088/ +3 what was the original goal of the data + To develop SRM-based strategy for developing plasma-based protein biomarkers for epithelial ovarian cancer + +## Dataset 2: (Colorectal cancer) + +File: CRC_silvia_1.xlsx + +1. what instrument was used to make it / what methodology was used: + SRM +2 who made the data/what’s their affiliation: + Silvia Surinova, Department of Biology, Institute of Molecular Systems Biology, ETH Zurich, Zurich, Switzerland + https://doi.org/10.15252/emmm.201404873 +3 what was the original goal of the data + Biomarker development for epithelial ovarian cancer +4 what’s the goal of the project you’re doing + I am trying to generate realistic mass spec based quantitative proteomics data using generative models. I want a prior knowledge network to help in that . \ No newline at end of file From 10c0a61123891c656c9d24e2c28defe7a48e7c99 Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Wed, 19 Jul 2023 13:14:08 -0400 Subject: [PATCH 08/14] Update vartika analysis --- .../analyses/devon/devon_analysis.py | 33 +- .../analyses/devon/vartika/README.md | 9 +- .../analyses/devon/vartika/protids.csv | 681 ++++++++++++++++++ 3 files changed, 719 insertions(+), 4 deletions(-) create mode 100644 src/indra_cogex/analyses/devon/vartika/protids.csv diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index 07b2051f3..954e03759 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -6,10 +6,12 @@ from typing import Iterable, Optional, Set, Union import bioregistry +import click import pandas as pd import pystow from indra.assemblers.indranet import IndraNetAssembler from protmapper import uniprot_client +from protmapper.api import hgnc_id_to_up from indra_cogex.client import Neo4jClient, autoclient, subnetwork @@ -48,9 +50,9 @@ def get_query_from_xlsx(fname, *, column: str) -> Set[str]: def _get_query_from_df(df: pd.DataFrame, column) -> Set[str]: df = df[df[column].notna()] lines = set(df[column]) - if column == "hgnc": + if column.lower().replace("_", "").removesuffix("id") == "hgnc": return lines - elif column in {"uniprot", "UniprotID"}: + elif column.lower().replace("_", "").removesuffix("id") in {"uniprot", "uniprotkb"}: rv = {uniprot_client.get_hgnc_id(line) for line in lines} return {r for r in rv if r} else: @@ -64,6 +66,7 @@ def analysis_hgnc( data_path: Optional[Path] = None, analysis_id: str, client: Optional[Neo4jClient] = None, + minimum_evidence_count: int = 8, ): logger.info("running analysis: %s", analysis_id) analysis_module = OUTPUT_MODULE.module(analysis_id) @@ -79,18 +82,32 @@ def analysis_hgnc( pairs, client=client, node_prefix="hgnc", - minimum_evidence_count=8, + minimum_evidence_count=minimum_evidence_count, ) statements_pkl_path.write_bytes(pickle.dumps(stmts)) else: stmts = pickle.loads(statements_pkl_path.read_bytes()) assembler = IndraNetAssembler(stmts) + exc = [ + + ] stmts_df = assembler.make_df(keep_self_loops=False).sort_values( ["agA_name", "agB_name"] ) + for side in "AB": + side_uniprot_ids = [] + for side_ns, side_id in stmts_df[[f"ag{side}_ns", f'ag{side}_id']].values: + if side_ns == "HGNC": + uniprot_id = hgnc_id_to_up.get(str(side_id)) + else: + uniprot_id = None + side_uniprot_ids.append(uniprot_id) + stmts_df[f"ag{side}_uniprot"] = side_uniprot_ids + stmts_df = stmts_df[stmts_df["stmt_type"] != "Complex"] stmts_df.drop_duplicates(subset=["stmt_hash"], inplace=True) + logger.info(f"writing INDRANet to {statements_df_path}") stmts_df.to_csv(statements_df_path, sep="\t", index=False) if data_path is not None: @@ -100,6 +117,7 @@ def analysis_hgnc( data_df["in_neighbors"] = data_df["hgnc"].map(neighbor_hgnc_ids.__contains__) data_df.to_csv(processed_path, sep="\t", index=False) processed_filtered_path = analysis_module.join(name="data_filtered.tsv") + logger.info(f"Writing results to {processed_filtered_path}") data_df[data_df["in_neighbors"]].to_csv( processed_filtered_path, sep="\t", index=False ) @@ -117,6 +135,7 @@ def _read_df(path: Union[str, Path]) -> pd.DataFrame: return df +@click.command() def main(): # RAS RAF MEK ERK query = [ @@ -139,6 +158,14 @@ def main(): analysis_hgnc( data_path=PATH, target_hgnc_ids=query, analysis_id="simple", client=client ) + analysis_hgnc( + target_hgnc_ids=get_query_from_tsv( + "vartika/protids.csv", column="UniProtID" + ), + analysis_id="bertis", + client=client, + ) + return analysis_hgnc( target_hgnc_ids=get_query_from_tsv("vartika/OV_ruth_1.csv", column="UniprotID"), analysis_id="huettenhain", diff --git a/src/indra_cogex/analyses/devon/vartika/README.md b/src/indra_cogex/analyses/devon/vartika/README.md index afa8e931f..c1b9e994a 100644 --- a/src/indra_cogex/analyses/devon/vartika/README.md +++ b/src/indra_cogex/analyses/devon/vartika/README.md @@ -26,4 +26,11 @@ File: CRC_silvia_1.xlsx 3 what was the original goal of the data Biomarker development for epithelial ovarian cancer 4 what’s the goal of the project you’re doing - I am trying to generate realistic mass spec based quantitative proteomics data using generative models. I want a prior knowledge network to help in that . \ No newline at end of file + I am trying to generate realistic mass spec based quantitative proteomics data using generative models. I want a prior knowledge network to help in that . + +# Dataset 3 (protids.csv) + +1. what instrument was used to make it / what methodology was used: DIA +2. who made the data/what’s their affiliation: Bertis Inc. +3. what was the original goal of the data: I think their original goal is drug discovery and experimental design. +4. what’s the goal of the project you’re doing: I’m doing realistic synthetic data simulation to help in experimental design. diff --git a/src/indra_cogex/analyses/devon/vartika/protids.csv b/src/indra_cogex/analyses/devon/vartika/protids.csv new file mode 100644 index 000000000..789f443ba --- /dev/null +++ b/src/indra_cogex/analyses/devon/vartika/protids.csv @@ -0,0 +1,681 @@ +,UniProtID,Gene +0,P0DOY3,IGLC3 +1,A0A0C4DH24,IGKV6-21 +2,P04275,VWF +3,P01833,PIGR +4,P50336,PPOX +5,P02741,CRP +6,P60709,ACTB +7,Q06033-2,ITIH3 +8,A0A087WWT3,ALB +9,P11226,MBL2 +10,P06681,C2 +11,A0A0C4DH25,IGKV3D-20 +12,P28799,GRN +13,O95613-2,PCNT +14,Q6UXB8,PI16 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+1380,P32754,HPD +1386,P35579,MYH9 +1393,P37840-2,SNCA +1396,P40925-3,MDH1 +1403,P49257,LMAN1 +1404,P49721,PSMB2 +1410,P52209-2,PGD +1414,P55072,VCP +1417,P58546,MTPN +1418,P60174-3,TPI1 +1420,P61204,ARF3 +1421,P61224,RAP1B +1425,P62805,H4C1 +1426,P62820,RAB1A +1427,P62826,RAN +1429,P63241-2,EIF5A +1431,P68036-2,UBE2L3 +1432,P68366-2,TUBA4A +1434,P69891,HBG1 +1436,P78347-2,GTF2I +1437,P78417,GSTO1 +1440,P80511,S100A12 +1448,Q06830,PRDX1 +1452,Q08830,FGL1 +1454,Q12841,FSTL1 +1458,Q13228-4,SELENBP1 +1459,Q13371,PDCL +1463,Q14019,COTL1 +1479,Q16822,PCK2 +1480,Q16851,UGP2 +1496,Q86YW5,TREML1 +1497,Q8IXL6,FAM20C +1498,Q8N1N4,KRT78 +1500,Q8NBS9,TXNDC5 +1502,Q8TD26,CHD6 +1503,Q8TDL5,BPIFB1 +1508,Q96FE7-2,PIK3IP1 +1514,Q99895,CTRC +1517,Q9BUQ8,DDX23 +1522,Q9GZZ9-2,UBA5 +1524,Q9H4B7,TUBB1 +1526,Q9HBI1-2,PARVB +1527,Q9HCN6-2,GP6 +1529,Q9NNW7-2,TXNRD2 +1537,Q9Y279-2,VSIG4 +1540,Q9Y5C1,ANGPTL3 +1542,Q9Y6K9-2,IKBKG From 0c23748f21455c9441ba1abca12b2b07c843495c Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Wed, 19 Jul 2023 13:54:09 -0400 Subject: [PATCH 09/14] Update devon_analysis.py --- .../analyses/devon/devon_analysis.py | 26 +++++-------------- 1 file changed, 7 insertions(+), 19 deletions(-) diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index 954e03759..d1090756e 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -89,15 +89,11 @@ def analysis_hgnc( stmts = pickle.loads(statements_pkl_path.read_bytes()) assembler = IndraNetAssembler(stmts) - exc = [ - - ] - stmts_df = assembler.make_df(keep_self_loops=False).sort_values( - ["agA_name", "agB_name"] - ) + exc = [] + stmts_df = assembler.make_df(keep_self_loops=False).sort_values(["agA_name", "agB_name"]) for side in "AB": side_uniprot_ids = [] - for side_ns, side_id in stmts_df[[f"ag{side}_ns", f'ag{side}_id']].values: + for side_ns, side_id in stmts_df[[f"ag{side}_ns", f"ag{side}_id"]].values: if side_ns == "HGNC": uniprot_id = hgnc_id_to_up.get(str(side_id)) else: @@ -118,9 +114,7 @@ def analysis_hgnc( data_df.to_csv(processed_path, sep="\t", index=False) processed_filtered_path = analysis_module.join(name="data_filtered.tsv") logger.info(f"Writing results to {processed_filtered_path}") - data_df[data_df["in_neighbors"]].to_csv( - processed_filtered_path, sep="\t", index=False - ) + data_df[data_df["in_neighbors"]].to_csv(processed_filtered_path, sep="\t", index=False) def _read_df(path: Union[str, Path]) -> pd.DataFrame: @@ -155,13 +149,9 @@ def main(): "6877", ] client = Neo4jClient() + analysis_hgnc(data_path=PATH, target_hgnc_ids=query, analysis_id="simple", client=client) analysis_hgnc( - data_path=PATH, target_hgnc_ids=query, analysis_id="simple", client=client - ) - analysis_hgnc( - target_hgnc_ids=get_query_from_tsv( - "vartika/protids.csv", column="UniProtID" - ), + target_hgnc_ids=get_query_from_tsv("vartika/protids.csv", column="UniProtID"), analysis_id="bertis", client=client, ) @@ -172,9 +162,7 @@ def main(): client=client, ) analysis_hgnc( - target_hgnc_ids=get_query_from_xlsx( - "vartika/CRC_silvia_1.xlsx", column="UniprotID" - ), + target_hgnc_ids=get_query_from_xlsx("vartika/CRC_silvia_1.xlsx", column="UniprotID"), analysis_id="surinova", client=client, ) From 370656065554bc5eee5ff40171c0020b32064df0 Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Mon, 7 Aug 2023 13:18:32 -0400 Subject: [PATCH 10/14] Update devon_analysis.py --- .../analyses/devon/devon_analysis.py | 84 ++++++++++++------- 1 file changed, 52 insertions(+), 32 deletions(-) diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index d1090756e..6a32709cb 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -10,8 +10,8 @@ import pandas as pd import pystow from indra.assemblers.indranet import IndraNetAssembler +from indra.databases.hgnc_client import get_uniprot_id from protmapper import uniprot_client -from protmapper.api import hgnc_id_to_up from indra_cogex.client import Neo4jClient, autoclient, subnetwork @@ -68,11 +68,28 @@ def analysis_hgnc( client: Optional[Neo4jClient] = None, minimum_evidence_count: int = 8, ): + """ + This analysis takes a list of target genes and gets a subnetwork + of INDRA increase amount and decrease amount statements where + both the source and target are in the list. It uses a default + minimum evidence count of 8, which filters out the most obscure + and likely incorrect statements (e.g., due to technical reader errors). + + .. todo:: + + - consider direct versus indirect interactions (i.e., is physical contact + involved). Should we remove these, or try and keep these "bypass" edges? + - consider cycles. Look at canonical-ness, e.g., use curated pathway databases + as a guide to figure out what the "forward" pathways are. This can be + thought of like an optimization problem - what is the smallest set of least + important edges to remove. + - small cycles where A->B and B->A. + """ logger.info("running analysis: %s", analysis_id) analysis_module = OUTPUT_MODULE.module(analysis_id) - statements_pkl_path = analysis_module.join(name="statements.pkl") - statements_df_path = analysis_module.join(name="indranet.tsv") - processed_path = analysis_module.join(name="data.tsv") + statements_pkl_path = analysis_module.join(name=f"statements_{minimum_evidence_count:03}.pkl") + statements_df_path = analysis_module.join(name=f"indranet_{minimum_evidence_count:03}.tsv") + processed_path = analysis_module.join(name=f"data_{minimum_evidence_count:03}.tsv") target_hgnc_ids = set(target_hgnc_ids) @@ -89,19 +106,18 @@ def analysis_hgnc( stmts = pickle.loads(statements_pkl_path.read_bytes()) assembler = IndraNetAssembler(stmts) - exc = [] stmts_df = assembler.make_df(keep_self_loops=False).sort_values(["agA_name", "agB_name"]) for side in "AB": side_uniprot_ids = [] for side_ns, side_id in stmts_df[[f"ag{side}_ns", f"ag{side}_id"]].values: if side_ns == "HGNC": - uniprot_id = hgnc_id_to_up.get(str(side_id)) + uniprot_id = get_uniprot_id(side_id) else: uniprot_id = None side_uniprot_ids.append(uniprot_id) stmts_df[f"ag{side}_uniprot"] = side_uniprot_ids - stmts_df = stmts_df[stmts_df["stmt_type"] != "Complex"] + stmts_df = stmts_df[stmts_df["stmt_type"].isin(["IncreaseAmount", "DecreaseAmount"])] stmts_df.drop_duplicates(subset=["stmt_hash"], inplace=True) logger.info(f"writing INDRANet to {statements_df_path}") stmts_df.to_csv(statements_df_path, sep="\t", index=False) @@ -155,7 +171,6 @@ def main(): analysis_id="bertis", client=client, ) - return analysis_hgnc( target_hgnc_ids=get_query_from_tsv("vartika/OV_ruth_1.csv", column="UniprotID"), analysis_id="huettenhain", @@ -166,30 +181,35 @@ def main(): analysis_id="surinova", client=client, ) - analysis_hgnc( - data_path=PATH, - target_hgnc_ids=get_query("devon/Exploratory_query.csv"), - analysis_id="exploratory", - client=client, - ) - analysis_hgnc( - data_path=PATH, - target_hgnc_ids=get_query_from_tsv("devon/gene_list.csv", column="uniprot"), - analysis_id="slavov", - client=client, - ) - analysis_hgnc( - data_path=PATH, - target_hgnc_ids=get_query("devon/MAPK_downstream.csv"), - analysis_id="mapk_downstream", - client=client, - ) - analysis_hgnc( - data_path=PATH, - target_hgnc_ids=get_query("devon/MAPK_downstream.csv"), - analysis_id="mapk_downstream", - client=client, - ) + for minimum_evidence_count in [8, 50, 100, 150]: + analysis_hgnc( + data_path=PATH, + target_hgnc_ids=get_query("devon/Exploratory_query.csv"), + analysis_id="exploratory", + client=client, + minimum_evidence_count=minimum_evidence_count, + ) + analysis_hgnc( + data_path=PATH, + target_hgnc_ids=get_query_from_tsv("devon/gene_list.csv", column="uniprot"), + analysis_id="slavov", + client=client, + minimum_evidence_count=minimum_evidence_count, + ) + analysis_hgnc( + data_path=PATH, + target_hgnc_ids=get_query("devon/MAPK_downstream.csv"), + analysis_id="mapk_downstream", + client=client, + minimum_evidence_count=minimum_evidence_count, + ) + analysis_hgnc( + data_path=PATH, + target_hgnc_ids=get_query("devon/MAPK_downstream.csv"), + analysis_id="mapk_downstream", + client=client, + minimum_evidence_count=minimum_evidence_count, + ) if __name__ == "__main__": From bb8a77ae6883e9b07fab964ad3407ce829480c42 Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Mon, 7 Aug 2023 14:44:59 -0400 Subject: [PATCH 11/14] Update devon_analysis.py --- .../analyses/devon/devon_analysis.py | 175 +++++++++++------- 1 file changed, 106 insertions(+), 69 deletions(-) diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index 6a32709cb..bf03e3b41 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -1,19 +1,20 @@ """Run Vitek lab analysis - get PKN based on mass spec results.""" +import json import logging -import pickle from pathlib import Path +from textwrap import dedent from typing import Iterable, Optional, Set, Union import bioregistry import click import pandas as pd import pystow -from indra.assemblers.indranet import IndraNetAssembler -from indra.databases.hgnc_client import get_uniprot_id +from indra.databases.hgnc_client import get_hgnc_name, get_uniprot_id from protmapper import uniprot_client -from indra_cogex.client import Neo4jClient, autoclient, subnetwork +from indra_cogex.client import Neo4jClient, autoclient +from indra_cogex.client.utils import minimum_evidence_helper logger = logging.getLogger(__name__) HERE = Path(__file__).parent.resolve() @@ -21,17 +22,21 @@ OUTPUT_MODULE = pystow.module("indra", "cogex", "analysis", "devon") -def get_query(fname: str) -> Set[str]: - """Get the query HGNC identifier set from one of the files in this directory by name.""" +def get_query_from_file(fname: str) -> Set[str]: + """Get the query UniProt set from one of the files in this directory by name.""" prefix, *lines = HERE.joinpath(fname).read_text().splitlines() lines = {line.strip() for line in lines if line.strip()} norm_prefix = bioregistry.normalize_prefix(prefix) if norm_prefix is None: raise ValueError(f"invalid prefix: {prefix}") if norm_prefix == "hgnc": - return lines + return { + uniprot_id.strip() + for hgnc_id in lines + for uniprot_id in get_uniprot_id(hgnc_id).split(",") + } elif norm_prefix == "uniprot": - return {uniprot_client.get_hgnc_id(line) for line in lines} + return lines else: raise ValueError(f"unhandled prefix: {norm_prefix}") @@ -51,17 +56,20 @@ def _get_query_from_df(df: pd.DataFrame, column) -> Set[str]: df = df[df[column].notna()] lines = set(df[column]) if column.lower().replace("_", "").removesuffix("id") == "hgnc": - return lines + return { + uniprot_id.strip() + for hgnc_id in lines + for uniprot_id in get_uniprot_id(hgnc_id).split(",") + } elif column.lower().replace("_", "").removesuffix("id") in {"uniprot", "uniprotkb"}: - rv = {uniprot_client.get_hgnc_id(line) for line in lines} - return {r for r in rv if r} + return lines else: raise ValueError(f"unhandled column: {column}") @autoclient() -def analysis_hgnc( - target_hgnc_ids: Iterable[str], +def analysis_uniprot( + uniprot_ids: Iterable[str], *, data_path: Optional[Path] = None, analysis_id: str, @@ -69,7 +77,7 @@ def analysis_hgnc( minimum_evidence_count: int = 8, ): """ - This analysis takes a list of target genes and gets a subnetwork + This analysis takes a list of target proteins and gets a subnetwork of INDRA increase amount and decrease amount statements where both the source and target are in the list. It uses a default minimum evidence count of 8, which filters out the most obscure @@ -87,48 +95,83 @@ def analysis_hgnc( """ logger.info("running analysis: %s", analysis_id) analysis_module = OUTPUT_MODULE.module(analysis_id) - statements_pkl_path = analysis_module.join(name=f"statements_{minimum_evidence_count:03}.pkl") - statements_df_path = analysis_module.join(name=f"indranet_{minimum_evidence_count:03}.tsv") - processed_path = analysis_module.join(name=f"data_{minimum_evidence_count:03}.tsv") - - target_hgnc_ids = set(target_hgnc_ids) + edges_path = analysis_module.join(name=f"{minimum_evidence_count:03}_edges.tsv") + data_annotated_path = analysis_module.join(name=f"{minimum_evidence_count:03}_data.tsv") + + uniprot_ids = set(uniprot_ids) + hgnc_ids = {uniprot_client.get_hgnc_id(uniprot_id) for uniprot_id in uniprot_ids} + + hgnc_curies = [f"hgnc:{gene_id}" for gene_id in hgnc_ids if gene_id] + query = dedent( + f"""\ + MATCH p=(n1:BioEntity)-[r:indra_rel]->(n2:BioEntity) + WHERE + n1.id IN {hgnc_curies!r} + AND n2.id IN {hgnc_curies!r} + AND n1.id <> n2.id + AND r.stmt_type IN ['IncreaseAmount', 'DecreaseAmount'] + {minimum_evidence_helper(minimum_evidence_count)} + RETURN p + """ + ) + rows = [] + columns = [ + "source_hgnc_id", + "source_hgnc_symbol", + "source_uniprot_id", + "relation", + "target_hgnc_id", + "target_hgnc_symbol", + "target_uniprot_id", + "stmt_hash", + "evidence_count", + "source_counts", + ] - if not statements_pkl_path.is_file(): - pairs = [("hgnc", gene_id) for gene_id in target_hgnc_ids] - stmts = subnetwork.get_neighbor_network_statements( - pairs, - client=client, - node_prefix="hgnc", - minimum_evidence_count=minimum_evidence_count, + def _process_uniprot(hgnc_id: str) -> Optional[str]: + uniprot_id = get_uniprot_id(hgnc_id) + if "," not in uniprot_id: + return uniprot_id + for uu in uniprot_id.split(","): + if uu in uniprot_ids: + return uu + return None + + for relation in client.query_relations(query): + source_uniprot = _process_uniprot(relation.source_id) + target_uniprot = _process_uniprot(relation.target_id) + if not source_uniprot or not target_uniprot: + continue + + rows.append( + ( + relation.source_id, + get_hgnc_name(relation.source_id), + source_uniprot, + relation.data["stmt_type"], + relation.target_id, + get_hgnc_name(relation.target_id), + target_uniprot, + relation.data["stmt_hash"], + sum(json.loads(relation.data["source_counts"]).values()), + relation.data["source_counts"], + ) ) - statements_pkl_path.write_bytes(pickle.dumps(stmts)) - else: - stmts = pickle.loads(statements_pkl_path.read_bytes()) - - assembler = IndraNetAssembler(stmts) - stmts_df = assembler.make_df(keep_self_loops=False).sort_values(["agA_name", "agB_name"]) - for side in "AB": - side_uniprot_ids = [] - for side_ns, side_id in stmts_df[[f"ag{side}_ns", f"ag{side}_id"]].values: - if side_ns == "HGNC": - uniprot_id = get_uniprot_id(side_id) - else: - uniprot_id = None - side_uniprot_ids.append(uniprot_id) - stmts_df[f"ag{side}_uniprot"] = side_uniprot_ids - - stmts_df = stmts_df[stmts_df["stmt_type"].isin(["IncreaseAmount", "DecreaseAmount"])] - stmts_df.drop_duplicates(subset=["stmt_hash"], inplace=True) - logger.info(f"writing INDRANet to {statements_df_path}") - stmts_df.to_csv(statements_df_path, sep="\t", index=False) + + df = pd.DataFrame(rows, columns=columns) + df.drop_duplicates(subset=["stmt_hash"], inplace=True) + logger.info(f"writing INDRANet to {edges_path}") + df.to_csv(edges_path, sep="\t", index=False) if data_path is not None: data_df = _read_df(data_path) # measured = set(df["hgnc"]) - neighbor_hgnc_ids = set(stmts_df["agA_id"]).union(stmts_df["agB_id"]) + neighbor_hgnc_ids = set(df["source_hgnc_id"]).union(df["target_hgnc_id"]) data_df["in_neighbors"] = data_df["hgnc"].map(neighbor_hgnc_ids.__contains__) - data_df.to_csv(processed_path, sep="\t", index=False) - processed_filtered_path = analysis_module.join(name="data_filtered.tsv") + data_df.to_csv(data_annotated_path, sep="\t", index=False) + processed_filtered_path = analysis_module.join( + name=f"{minimum_evidence_count:03}_data_filtered.tsv" + ) logger.info(f"Writing results to {processed_filtered_path}") data_df[data_df["in_neighbors"]].to_csv(processed_filtered_path, sep="\t", index=False) @@ -164,48 +207,42 @@ def main(): "6871", "6877", ] + query = {get_uniprot_id(hgnc_id) for hgnc_id in query} client = Neo4jClient() - analysis_hgnc(data_path=PATH, target_hgnc_ids=query, analysis_id="simple", client=client) - analysis_hgnc( - target_hgnc_ids=get_query_from_tsv("vartika/protids.csv", column="UniProtID"), + analysis_uniprot(data_path=PATH, uniprot_ids=query, analysis_id="simple", client=client) + analysis_uniprot( + uniprot_ids=get_query_from_tsv("vartika/protids.csv", column="UniProtID"), analysis_id="bertis", client=client, ) - analysis_hgnc( - target_hgnc_ids=get_query_from_tsv("vartika/OV_ruth_1.csv", column="UniprotID"), + analysis_uniprot( + uniprot_ids=get_query_from_tsv("vartika/OV_ruth_1.csv", column="UniprotID"), analysis_id="huettenhain", client=client, ) - analysis_hgnc( - target_hgnc_ids=get_query_from_xlsx("vartika/CRC_silvia_1.xlsx", column="UniprotID"), + analysis_uniprot( + uniprot_ids=get_query_from_xlsx("vartika/CRC_silvia_1.xlsx", column="UniprotID"), analysis_id="surinova", client=client, ) for minimum_evidence_count in [8, 50, 100, 150]: - analysis_hgnc( + analysis_uniprot( data_path=PATH, - target_hgnc_ids=get_query("devon/Exploratory_query.csv"), + uniprot_ids=get_query_from_file("devon/Exploratory_query.csv"), analysis_id="exploratory", client=client, minimum_evidence_count=minimum_evidence_count, ) - analysis_hgnc( + analysis_uniprot( data_path=PATH, - target_hgnc_ids=get_query_from_tsv("devon/gene_list.csv", column="uniprot"), + uniprot_ids=get_query_from_tsv("devon/gene_list.csv", column="uniprot"), analysis_id="slavov", client=client, minimum_evidence_count=minimum_evidence_count, ) - analysis_hgnc( - data_path=PATH, - target_hgnc_ids=get_query("devon/MAPK_downstream.csv"), - analysis_id="mapk_downstream", - client=client, - minimum_evidence_count=minimum_evidence_count, - ) - analysis_hgnc( + analysis_uniprot( data_path=PATH, - target_hgnc_ids=get_query("devon/MAPK_downstream.csv"), + uniprot_ids=get_query_from_file("devon/MAPK_downstream.csv"), analysis_id="mapk_downstream", client=client, minimum_evidence_count=minimum_evidence_count, From b876bd1c6ae5102674d212982fe3b15bfc61a04a Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Mon, 7 Aug 2023 16:02:32 -0400 Subject: [PATCH 12/14] Add density query and extra logging --- .../devon/devon/{gene_list.csv => slavov.csv} | 0 .../analyses/devon/devon_analysis.py | 132 ++++++++++++------ 2 files changed, 92 insertions(+), 40 deletions(-) rename src/indra_cogex/analyses/devon/devon/{gene_list.csv => slavov.csv} (100%) diff --git a/src/indra_cogex/analyses/devon/devon/gene_list.csv b/src/indra_cogex/analyses/devon/devon/slavov.csv similarity index 100% rename from src/indra_cogex/analyses/devon/devon/gene_list.csv rename to src/indra_cogex/analyses/devon/devon/slavov.csv diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index bf03e3b41..f1a6e0152 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -2,6 +2,7 @@ import json import logging +from operator import itemgetter from pathlib import Path from textwrap import dedent from typing import Iterable, Optional, Set, Union @@ -74,7 +75,7 @@ def analysis_uniprot( data_path: Optional[Path] = None, analysis_id: str, client: Optional[Neo4jClient] = None, - minimum_evidence_count: int = 8, + minimum_evidence_count: Optional[int] = None, ): """ This analysis takes a list of target proteins and gets a subnetwork @@ -95,13 +96,73 @@ def analysis_uniprot( """ logger.info("running analysis: %s", analysis_id) analysis_module = OUTPUT_MODULE.module(analysis_id) - edges_path = analysis_module.join(name=f"{minimum_evidence_count:03}_edges.tsv") - data_annotated_path = analysis_module.join(name=f"{minimum_evidence_count:03}_data.tsv") + + if minimum_evidence_count is None: + minimum_evidence_count = 8 + edges_path = analysis_module.join(name="edges.tsv") + data_annotated_path = analysis_module.join(name="data.tsv") + data_annotated_filtered_path = analysis_module.join(name="data_filtered.tsv") + density_path = analysis_module.join(name="density.tsv") + else: + edges_path = analysis_module.join(name=f"{minimum_evidence_count:03}_edges.tsv") + data_annotated_path = analysis_module.join(name=f"{minimum_evidence_count:03}_data.tsv") + data_annotated_filtered_path = analysis_module.join( + name=f"{minimum_evidence_count:03}_data_filtered.tsv" + ) + density_path = analysis_module.join(name=f"{minimum_evidence_count:03}_density.tsv") uniprot_ids = set(uniprot_ids) - hgnc_ids = {uniprot_client.get_hgnc_id(uniprot_id) for uniprot_id in uniprot_ids} + click.echo(f"Querying {len(uniprot_ids):,} UniProt identifiers") + + def _get_uniprot_from_hgnc(hgnc_id: str) -> Optional[str]: + uniprot_id = get_uniprot_id(hgnc_id) + if "," not in uniprot_id: + return uniprot_id + for uu in uniprot_id.split(","): + if uu in uniprot_ids: + return uu + return None + + hgnc_ids = set() + failed = set() + for uniprot_id in uniprot_ids: + hgnc_id = uniprot_client.get_hgnc_id(uniprot_id) + if hgnc_id: + hgnc_ids.add(hgnc_id) + else: + failed.add(uniprot_id) + if failed: + click.echo(f"Failed to get HGNC ID for UniProts: {sorted(failed)}") + + hgnc_curies = [f"hgnc:{gene_id}" for gene_id in hgnc_ids] + + density_query = dedent( + f"""\ + MATCH p=(n1:BioEntity)-[r:indra_rel]->(n2:BioEntity) + WHERE + n1.id IN {hgnc_curies!r} + AND n2.id STARTS WITH 'hgnc' + AND n1.id <> n2.id + AND r.stmt_type IN ['IncreaseAmount', 'DecreaseAmount'] + {minimum_evidence_helper(minimum_evidence_count)} + RETURN n1.id, count(distinct n2.id) + """ + ) + density = [] + for curie, count in sorted(client.query_tx(density_query), key=itemgetter(1), reverse=True): + hgnc_id = curie.removeprefix("hgnc:") + + density.append( + ( + hgnc_id, + get_hgnc_name(hgnc_id), + _get_uniprot_from_hgnc(hgnc_id), + count, + ) + ) + columns = ["hgnc_id", "hgnc_symbol", "uniprot_id", "unique_hgnc_neighbors"] + pd.DataFrame(density, columns=columns).to_csv(density_path, sep="\t", index=False) - hgnc_curies = [f"hgnc:{gene_id}" for gene_id in hgnc_ids if gene_id] query = dedent( f"""\ MATCH p=(n1:BioEntity)-[r:indra_rel]->(n2:BioEntity) @@ -114,7 +175,7 @@ def analysis_uniprot( RETURN p """ ) - rows = [] + columns = [ "source_hgnc_id", "source_hgnc_symbol", @@ -128,21 +189,14 @@ def analysis_uniprot( "source_counts", ] - def _process_uniprot(hgnc_id: str) -> Optional[str]: - uniprot_id = get_uniprot_id(hgnc_id) - if "," not in uniprot_id: - return uniprot_id - for uu in uniprot_id.split(","): - if uu in uniprot_ids: - return uu - return None - + rows = [] + skipped = 0 for relation in client.query_relations(query): - source_uniprot = _process_uniprot(relation.source_id) - target_uniprot = _process_uniprot(relation.target_id) + source_uniprot = _get_uniprot_from_hgnc(relation.source_id) + target_uniprot = _get_uniprot_from_hgnc(relation.target_id) if not source_uniprot or not target_uniprot: + skipped += 1 continue - rows.append( ( relation.source_id, @@ -158,9 +212,11 @@ def _process_uniprot(hgnc_id: str) -> Optional[str]: ) ) + click.echo(f"Skipped {skipped:,} rows due to problematic UniProt->HGNC->UniProt round trip") + df = pd.DataFrame(rows, columns=columns) df.drop_duplicates(subset=["stmt_hash"], inplace=True) - logger.info(f"writing INDRANet to {edges_path}") + click.echo(f"writing edges to {edges_path}") df.to_csv(edges_path, sep="\t", index=False) if data_path is not None: @@ -169,11 +225,8 @@ def _process_uniprot(hgnc_id: str) -> Optional[str]: neighbor_hgnc_ids = set(df["source_hgnc_id"]).union(df["target_hgnc_id"]) data_df["in_neighbors"] = data_df["hgnc"].map(neighbor_hgnc_ids.__contains__) data_df.to_csv(data_annotated_path, sep="\t", index=False) - processed_filtered_path = analysis_module.join( - name=f"{minimum_evidence_count:03}_data_filtered.tsv" - ) - logger.info(f"Writing results to {processed_filtered_path}") - data_df[data_df["in_neighbors"]].to_csv(processed_filtered_path, sep="\t", index=False) + logger.info(f"Writing results to {data_annotated_filtered_path}") + data_df[data_df["in_neighbors"]].to_csv(data_annotated_filtered_path, sep="\t", index=False) def _read_df(path: Union[str, Path]) -> pd.DataFrame: @@ -225,28 +278,27 @@ def main(): analysis_id="surinova", client=client, ) - for minimum_evidence_count in [8, 50, 100, 150]: + for minimum_evidence_count in [1, 8, 50, 100, 150]: analysis_uniprot( data_path=PATH, - uniprot_ids=get_query_from_file("devon/Exploratory_query.csv"), - analysis_id="exploratory", - client=client, - minimum_evidence_count=minimum_evidence_count, - ) - analysis_uniprot( - data_path=PATH, - uniprot_ids=get_query_from_tsv("devon/gene_list.csv", column="uniprot"), + uniprot_ids=get_query_from_tsv("devon/slavov.csv", column="uniprot"), analysis_id="slavov", client=client, minimum_evidence_count=minimum_evidence_count, ) - analysis_uniprot( - data_path=PATH, - uniprot_ids=get_query_from_file("devon/MAPK_downstream.csv"), - analysis_id="mapk_downstream", - client=client, - minimum_evidence_count=minimum_evidence_count, - ) + # Devon said the following two are just permutations of the Slavov data + analysis_uniprot( + data_path=PATH, + uniprot_ids=get_query_from_file("devon/Exploratory_query.csv"), + analysis_id="exploratory", + client=client, + ) + analysis_uniprot( + data_path=PATH, + uniprot_ids=get_query_from_file("devon/MAPK_downstream.csv"), + analysis_id="mapk_downstream", + client=client, + ) if __name__ == "__main__": From 45e2e8aad43d1439ee59be3127bb8393ad348e98 Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Mon, 7 Aug 2023 16:19:49 -0400 Subject: [PATCH 13/14] Create README.md --- src/indra_cogex/analyses/devon/devon/README.md | 12 ++++++++++++ 1 file changed, 12 insertions(+) create mode 100644 src/indra_cogex/analyses/devon/devon/README.md diff --git a/src/indra_cogex/analyses/devon/devon/README.md b/src/indra_cogex/analyses/devon/devon/README.md new file mode 100644 index 000000000..d83d589e6 --- /dev/null +++ b/src/indra_cogex/analyses/devon/devon/README.md @@ -0,0 +1,12 @@ +# Devon Data + +| Attribute | Value | +|---------------------------------------------------------------------|-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------| +| Publication | [Leduc *et al.*, 2022](https://genomebiology.biomedcentral.com/articles/10.1186/s13059-022-02817-5) | +| Access | https://scp.slavovlab.net/Leduc_et_al_2022#raw_data | +| Description | Single cell (SC) mass spectrometry-based proteomics experiments using Melanoma and Monocyte cell lines. The main goal of the experiment was to show how their new SC workflow (nPOP) works. Included markers for a small subset of cells that were in different stages of the cell cycle. | +| Acquisition method | DDA | +| Labeling type | TMT | +| Replicates | 1556 cells | +| Number of proteins ID | 2844 (avg of 997 per cell) | +| Spectral processing tool used for identification and quantification | MaxQuant | From 724e52ea193d74f884ca99ed50f3ad43a0018d9c Mon Sep 17 00:00:00 2001 From: Charles Tapley Hoyt Date: Mon, 7 Aug 2023 16:20:02 -0400 Subject: [PATCH 14/14] Update density analysis to have query comparison --- .../analyses/devon/devon_analysis.py | 71 +++++++++++-------- 1 file changed, 43 insertions(+), 28 deletions(-) diff --git a/src/indra_cogex/analyses/devon/devon_analysis.py b/src/indra_cogex/analyses/devon/devon_analysis.py index f1a6e0152..e21563b4e 100644 --- a/src/indra_cogex/analyses/devon/devon_analysis.py +++ b/src/indra_cogex/analyses/devon/devon_analysis.py @@ -135,34 +135,6 @@ def _get_uniprot_from_hgnc(hgnc_id: str) -> Optional[str]: click.echo(f"Failed to get HGNC ID for UniProts: {sorted(failed)}") hgnc_curies = [f"hgnc:{gene_id}" for gene_id in hgnc_ids] - - density_query = dedent( - f"""\ - MATCH p=(n1:BioEntity)-[r:indra_rel]->(n2:BioEntity) - WHERE - n1.id IN {hgnc_curies!r} - AND n2.id STARTS WITH 'hgnc' - AND n1.id <> n2.id - AND r.stmt_type IN ['IncreaseAmount', 'DecreaseAmount'] - {minimum_evidence_helper(minimum_evidence_count)} - RETURN n1.id, count(distinct n2.id) - """ - ) - density = [] - for curie, count in sorted(client.query_tx(density_query), key=itemgetter(1), reverse=True): - hgnc_id = curie.removeprefix("hgnc:") - - density.append( - ( - hgnc_id, - get_hgnc_name(hgnc_id), - _get_uniprot_from_hgnc(hgnc_id), - count, - ) - ) - columns = ["hgnc_id", "hgnc_symbol", "uniprot_id", "unique_hgnc_neighbors"] - pd.DataFrame(density, columns=columns).to_csv(density_path, sep="\t", index=False) - query = dedent( f"""\ MATCH p=(n1:BioEntity)-[r:indra_rel]->(n2:BioEntity) @@ -228,6 +200,49 @@ def _get_uniprot_from_hgnc(hgnc_id: str) -> Optional[str]: logger.info(f"Writing results to {data_annotated_filtered_path}") data_df[data_df["in_neighbors"]].to_csv(data_annotated_filtered_path, sep="\t", index=False) + _df = ( + df[["source_hgnc_id", "target_hgnc_id"]].drop_duplicates().groupby("source_hgnc_id").count() + )["target_hgnc_id"].reset_index() + print(_df) + + # get query counts + x = dict(_df.values) + + density_query = dedent( + f"""\ + MATCH p=(n1:BioEntity)-[r:indra_rel]->(n2:BioEntity) + WHERE + n1.id IN {hgnc_curies!r} + AND n2.id STARTS WITH 'hgnc' + AND n1.id <> n2.id + AND r.stmt_type IN ['IncreaseAmount', 'DecreaseAmount'] + {minimum_evidence_helper(minimum_evidence_count)} + RETURN n1.id, count(distinct n2.id) + """ + ) + density = [] + for curie, count in sorted(client.query_tx(density_query), key=itemgetter(1), reverse=True): + hgnc_id = curie.removeprefix("hgnc:") + density.append( + ( + hgnc_id, + get_hgnc_name(hgnc_id), + _get_uniprot_from_hgnc(hgnc_id), + count, + x[hgnc_id] if hgnc_id in x else 0, + round(100 * x[hgnc_id] / count, 2) if hgnc_id in x else 0.0, + ) + ) + columns = [ + "hgnc_id", + "hgnc_symbol", + "uniprot_id", + "all_successors", + "query_successors", + "query_successor_density", + ] + pd.DataFrame(density, columns=columns).to_csv(density_path, sep="\t", index=False) + def _read_df(path: Union[str, Path]) -> pd.DataFrame: path = Path(path).resolve()