Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | TPSAB1 | Q15661 | 9/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
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 SCHEMBL1382249 | 0.95 | TPSAB1 (0.51) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| SCHEMBL4403180 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| SCHEMBL4404783 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL1382520 | 0.85 | TPSAB1 (0.52) | TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL1381412 | 0.83 | TPSAB1 (0.51) | TPSAB1 | |
| SCHEMBL4404040 | 0.81 | CYP3A4 (0.49) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| SCHEMBL2109065 | 0.77 | PRSS1 (0.51) | — | |
| Trifluoroacetic Acid SCHEMBL1381956 | 0.76 | TPSAB1 (0.50) | CYP3A4CYP2D6KCNH2TPSAB1 | |
| SCHEMBL4410417 | 0.76 | MEN1 (0.40) | CYP3A4CYP2D6KCNH2TPSAB1ADORA2A | |
| SCHEMBL4407857 | 0.73 | CYP3A4 (0.49) | 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 |