Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.39 |
| ▸ | PYGL | P06737 | 4/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27534635 | 1.00 | TRPA1 (0.40) | TRPA1AAK1PYGLCTSSCTSK | |
| SCHEMBL1562328 | 1.00 | TRPA1 (0.40) | TRPA1AAK1PYGLCTSSCTSK | |
| SCHEMBL8905741 | 1.00 | TRPA1 (0.40) | TRPA1AAK1PYGLCTSSCTSK | |
| SCHEMBL27452074 | 0.91 | TRPA1 (0.40) | TRPA1AAK1PYGLCTSSCTSK | |
| SCHEMBL8904204 | 0.91 | TRPA1 (0.40) | TRPA1AAK1PYGLCTSSCTSK | |
| SCHEMBL8904200 | 0.91 | TRPA1 (0.40) | TRPA1AAK1PYGLCTSSCTSK | |
| SCHEMBL1562711 | 0.87 | PPARG (0.41) | TRPA1AAK1 | |
| SCHEMBL29079186 | 0.86 | AAK1 (0.47) | TRPA1AAK1CTSSCTSK | |
| SCHEMBL8904990 | 0.86 | APP (0.41) | TRPA1CTSSCTSKACE | |
| SCHEMBL7350485 | 0.86 | APP (0.41) | TRPA1CTSSCTSKACE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5618808-A | Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists | PFIZER, INC. (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0648213-A1 | BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1995-04-19 | — | — | EP | disclosed |
| WO-1994001421-A1 | BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1994-01-20 | — | — | WO | disclosed |