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tooluniverse-drug-target-validation
Quantitative drug-target validation pipeline. Scores druggability, selectivity, safety profile, ADMET feasibility, and structural tractability with a composite Target Validation Score (0-100) and GO/NO-GO recommendation. Use for go/no-go decisions on a target before commit-to-medchem, target prioritization across a list, and target-deselection rationale.
skills/tooluniverse-drug-target-validation/SKILL.md
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# Drug Target Validation Pipeline
Validate drug target hypotheses using multi-dimensional computational evidence before committing to wet-lab work. Produces a quantitative Target Validation Score (0-100) with priority tier classification and GO/NO-GO recommendation.
## Reasoning Before Searching
A valid drug target must pass 4 gates in order. Failing an early gate makes later gates irrelevant:
1. **Genetic evidence linking it to disease**: Does human genetic data (GWAS, rare variant studies, Mendelian genetics) support this target's role? Genetic evidence is the strongest predictor of clinical success. Use OpenTargets and GWAS catalog before anything else. If no genetic link exists, the hypothesis is speculative — document this clearly.
2. **Druggability**: Can a molecule reach and modulate the target? Check structure availability (PDB, AlphaFold), binding pocket prediction (ProteinsPlus), target class (kinase, GPCR, nuclear receptor = favorable; transcription factor, scaffold protein = difficult), and existing chemical probes.
3. **Safety — essentiality in normal tissue**: Is the target expressed in critical tissues (heart, liver, bone marrow)? Is knockout lethal in mice? High expression in essential tissue or lethality in mouse models is a strong safety red flag even before any clinical data.
4. **Competitive landscape**: Are other drugs already approved or in late-stage trials for this target? If so, the bar is differentiation, not first-in-class. Check ChEMBL, DrugBank, and ClinicalTrials.gov early.
Do not proceed to Phase 3 (Chemical Matter) before completing Phase 1 (Disease Association). Gate 1 failures should prompt a NO-GO or pivot recommendation.