Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 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 | |
|---|---|---|---|---|
| SCHEMBL8904836 | 0.98 | ALDH1A1 (0.41) | HSD11B1ALDH1A1CTSBCTSSCTSK | |
| SCHEMBL8904586 | 0.81 | GRM5 (0.53) | HSD11B1GRM5CYP1A2CYP3A4TSHR | |
| SCHEMBL8904921 | 0.80 | ALDH1A1 (0.46) | HSD11B1ALDH1A1CTSBCTSSCTSK | |
| SCHEMBL8903739 | 0.78 | GRM5 (0.50) | HSD11B1ALDH1A1GRM5CYP1A2CYP3A4 | |
| SCHEMBL12988858 | 0.78 | ATM (0.54) | ALDH1A1GAA | |
| SCHEMBL21480105 | 0.78 | ALDH1A1 (0.45) | HSD11B1ALDH1A1CYP1A2CYP3A4TSHR | |
| SCHEMBL5326103 | 0.78 | ALDH1A1 (0.47) | HSD11B1ALDH1A1CTSBCTSSCTSK | |
| SCHEMBL23584409 | 0.76 | HSD11B1 (0.42) | HSD11B1ALDH1A1CTSBCTSSCTSK | |
| SCHEMBL13194868 | 0.75 | — | — | |
| SCHEMBL12174589 | 0.75 | — | — |
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 |