Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | TPSAB1 | Q15661 | 11/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1381956 | 0.95 | TPSAB1 (0.50) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL6317047 | 0.87 | TPSAB1 (0.51) | TPSAB1 | |
| SCHEMBL4404586 | 0.85 | CYP3A4 (0.54) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL4398549 | 0.83 | TPSAB1 (0.52) | TPSAB1 | |
| SCHEMBL7151703 | 0.81 | TPSAB1 (0.46) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| SCHEMBL4411516 | 0.81 | CYP3A4 (0.51) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL4398472 | 0.80 | TPSAB1 (0.49) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL4399054 | 0.80 | TPSAB1 (0.49) | TPSAB1 | |
| SCHEMBL4403180 | 0.78 | CYP3A4 (0.49) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL1382249 | 0.76 | TPSAB1 (0.51) | CYP3A4CYP2D6KCNH2TPSAB1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1296972-B1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | AVENTIS PHARMA INC (US) | 2009-12-23 | — | — | EP | claimed |
| US-6977263-B2 | Chemical compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2005-12-20 | — | — | US | disclosed |