Molecular targets data

NCI DTP Molecular Target Query Skill

Search NCI-60 protein-level molecular target data by any entity. Auto-detects type:

Input Pattern	Detected As	Match Logic
EGFR, TP53	gene / protein	exact on GENE or substring on ENTITY_MEASURED, TITLE
MCF7, NCI-H460	cell line	substring on cellname
Breast, Leukemia	cancer panel	substring on pname
12345 (pure digits)	MOLTID	exact on MOLTID (NCI pattern #)

Drug-Relevance Guide

Only protein expression data is downloaded — proteins are the direct molecular targets of drugs (kinase inhibitors → kinase expression, antibodies → receptor levels).

Dataset	Download?	Reason
WEB_DATA_PROTEIN.ZIP	YES	Drug targets: protein expression across NCI-60
WEB_DATA_ALL_MT.ZIP	Optional	Superset incl. enzyme activity (also drug-relevant)
WEB_DATA_DNA.ZIP	No	Genomic characterisation, not drug targets
WEB_DATA_SEQUENOM_METHYLATION.ZIP	No	Epigenetic; indirect
WEB_DATA_*_MIR.ZIP	No	microRNA regulation; indirect
WEB_DATA_METABOLON*.ZIP	No	Metabolomics; downstream, indirect
Microarray / SNP / CopyNum / Karyotype	No	Cell-line genomic profiling; indirect

API

Function	Input	Returns
load_data(path)	file or directory path	list[dict]
search(data, entity)	data + single entity string	list[dict]
search_batch(data, entities)	data + list of entity strings	dict[str, list[dict]]
summarize(hits, entity)	hit list + label	compact LLM-readable text
to_json(hits)	hit list	list[dict] (JSON-serialisable)
query(data, entities, top_n)	data + str or list	text block

Record Fields

Each record contains:

Field	Description
MOLTID	NCI pattern number (molecular target ID)
GENE	Gene symbol
TITLE	Gene / protein full name
MOLTNBR	NCI experiment ID
PANELNBR / CELLNBR	Internal panel / cell identifiers
pname	Cancer panel name (e.g., Breast, Leukemia)
cellname	Cell line name (e.g., MCF7, A549/ATCC)
ENTITY_MEASURED	What was measured (e.g., protein name)
GeneID	NCBI Gene ID
UNITS	Measurement units
METHOD	Assay method
VALUE	Numeric measurement value
TEXT	Additional notes

Usage

See if __name__ == "__main__" block in 16_NCI_DTP_MolTarget.py for runnable examples covering: single gene query, cell line profile, batch multi-target search, cancer panel query, and JSON output.

Quick Examples

from importlib.machinery import SourceFileLoader
mt = SourceFileLoader("mt", "16_NCI_DTP_MolTarget.py").load_module()

data = mt.load_data()

# Single drug target
print(mt.query(data, "EGFR"))

# Multiple targets
print(mt.query(data, ["TP53", "BRAF", "HER2"]))

# Cell line molecular profile
print(mt.query(data, "MCF7"))

# JSON for downstream pipeline
import json
hits = mt.search(data, "EGFR")
print(json.dumps(mt.to_json(hits[:5]), indent=2))

Data Source & Download

• Provider: NCI Developmental Therapeutics Program (DTP)
• URL: https://wiki.nci.nih.gov/spaces/NCIDTPdata/pages/155845004/Molecular+Target+Data
• File: WEB_DATA_PROTEIN.TXT (headerless CSV, comma-delimited)
• Local Path: resources_metadata/dti/Molecular Target Data/WEB_DATA_PROTEIN.TXT
• Format: comma-delimited, 14 columns (see Record Fields above)
• Auth: None (public domain, U.S. government)

Download Commands

# File already at:
# resources_metadata/dti/Molecular Target Data/WEB_DATA_PROTEIN.TXT