Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPSAB1 | Q15661 | 17/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 SCHEMBL4398472 | 0.90 | TPSAB1 (0.49) | TPSAB1CYP3A4CYP2D6KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4398549 | 0.89 | TPSAB1 (0.52) | TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL4399054 | 0.84 | TPSAB1 (0.49) | TPSAB1 | |
| SCHEMBL4404586 | 0.84 | CYP3A4 (0.54) | TPSAB1CYP3A4CYP2D6KCNH2 | |
| Trifluoroacetic Acid SCHEMBL6317047 | 0.84 | TPSAB1 (0.51) | TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL1381956 | 0.82 | TPSAB1 (0.50) | TPSAB1CYP3A4CYP2D6KCNH2 | |
| SCHEMBL4404040 | 0.81 | CYP3A4 (0.49) | TPSAB1CYP3A4CYP2D6KCNH2 | |
| Trifluoroacetic Acid SCHEMBL1382520 | 0.71 | TPSAB1 (0.52) | TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL1381412 | 0.70 | TPSAB1 (0.51) | TPSAB1 | |
| Trifluoroacetic Acid SCHEMBL1382249 | 0.69 | TPSAB1 (0.51) | TPSAB1CYP3A4CYP2D6KCNH2 |
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-A1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | Aventis Pharmaceuticals Inc. (US) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001090101-A1 | ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-11-29 | — | — | WO | disclosed |