We asked: Does pictilisib engage PIK3CA in canine HSA × human angiosarcoma?

Dock the drug into the target’s binding pocket and score the pose.

Cross-species caveat. Docked against human 4JPS (PI3Kα / p110α). The canine PIK3CA ortholog (UniProt A0A5F4C2B1 / RefSeq XP_545208.2, taxid 9615) is 99.8% identical to human overall and 100% identical at every alpelisib/ATP-pocket residue — and a redock-verified canine receptor (AlphaFold AF-A0A5F4C2B1, alpelisib redock 0.62 Å) is now in the library — so the human structure is a justified cross-species proxy (the binding pocket is sequence-identical), not an unverified substitution.

Pre-registered tests, each locked to a kill-criterion before it ran. Any single one failing rules the whole idea out.

Survived every test the engine could run. Nothing here is proven — that's the point.

Readout. gnina docked pictilisib into PIK3CA: recommended pose -9.9 kcal/mol (CNN pose 0.83, CNN affinity 7.6); best Vina affinity -9.9 kcal/mol. Signal: supports.

Confidence so far: 82% — never proof.

Every result is hashed so anyone can re-derive it. Clearing these checks is necessary, not sufficient — a human still holds the final call, and nothing is auto-promoted.