Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPSAB1 | Q15661 | 12/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
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 SCHEMBL4411514 | 0.94 | TPSAB1 (0.56) | TPSAB1F10 | |
| SCHEMBL4395877 | 0.79 | TPSAB1 (0.55) | TPSAB1CYP3A4CYP2D6KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4410369 | 0.79 | TPSAB1 (0.57) | TPSAB1F10 | |
| SCHEMBL15772184 | 0.77 | CYP3A4 (0.53) | TPSAB1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL15780781 | 0.76 | TPSAB1 (0.54) | TPSAB1CYP3A4CYP2D6KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4395571 | 0.76 | TPSAB1 (0.59) | TPSAB1F10 | |
| Hydrochloric Acid SCHEMBL4408023 | 0.75 | TPSAB1 (0.53) | TPSAB1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL4411520 | 0.75 | TPSAB1 (0.55) | TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL4398774 | 0.75 | TPSAB1 (0.59) | TPSAB1F10 | |
| Trifluoroacetic Acid SCHEMBL4409332 | 0.75 | TPSAB1 (0.55) | TPSAB1F10 |
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 |