Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPSAB1 | Q15661 | 10/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4404747 | 0.99 | TPSAB1 (0.40) | TPSAB1CYP2C19KCNH2CYP2C9F10 | |
| SCHEMBL4399231 | 0.91 | TPSAB1 (0.40) | TPSAB1CYP2C19KCNH2CYP2C9F10 | |
| SCHEMBL4412828 | 0.90 | TPSAB1 (0.49) | TPSAB1CYP2C19KCNH2CYP2C9F10 | |
| Hydrochloric Acid SCHEMBL4401946 | 0.90 | TPSAB1 (0.40) | TPSAB1CYP2C19KCNH2CYP2C9F10 | |
| Hydrochloric Acid SCHEMBL4414531 | 0.90 | TPSAB1 (0.49) | TPSAB1CYP2C19KCNH2CYP2C9F10 | |
| Hydrochloric Acid SCHEMBL4404473 | 0.85 | TPSAB1 (0.54) | TPSAB1KCNH2F10CYP3A4CYP2D6 | |
| SCHEMBL7025355 | 0.84 | TPSAB1 (0.44) | TPSAB1KCNH2F10CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL4403358 | 0.83 | TPSAB1 (0.43) | TPSAB1KCNH2F10CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6491184 | 0.81 | TPSAB1 (0.43) | TPSAB1KCNH2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL4405734 | 0.79 | CYP2C19 (0.38) | TPSAB1CYP2C19KCNH2CYP3A4CYP2D6 |
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 |