MultiTargetDB: a comprehensive database of multitarget ligands for polypharmacology research and drug discovery.

MultiTargetDB v1.0 compiles 173 977 multitarget molecules, 6496 protein targets, and 474 749 quantitative bioactivity records with provenance for polypharmacology research.

• Why it matters: Dedicated, well-curated resources for polypharmacology and rational multitarget discovery are still scarce, limiting evidence-based ligand and target analysis.
• What they did: The database integrates small-molecule structures, development stages, and targets, plus target-level domains, families, functional associations, and KEGG pathway–disease links, with measurement-level provenance.
• The result: It enables multitarget ligand retrieval, target-combination and quantitative profiling, source-evidence inspection, and interpretation of molecule–target–pathway–disease relationships for repurposing and modeling.

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