Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 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 | |
|---|---|---|---|---|
| SCHEMBL9544115 | 0.88 | CYP2C19 (0.46) | CYP2C19KCNN4RAB9APOLBKDM1A | |
| SCHEMBL8922081 | 0.87 | CYP2C19 (0.43) | CYP2C19KCNN4 | |
| SCHEMBL9366810 | 0.86 | CYP2C19 (0.47) | CYP2C19RAB9A | |
| SCHEMBL8919363 | 0.82 | CCKBR (0.48) | CYP2C19 | |
| SCHEMBL8923711 | 0.82 | CCKBR (0.47) | CYP2C19TSHR | |
| SCHEMBL8920295 | 0.80 | CCKBR (0.51) | CYP2C19 | |
| SCHEMBL8922239 | 0.80 | SLC6A2 (0.42) | CYP2C19 | |
| SCHEMBL8402240 | 0.78 | CYP2C19 (0.41) | CYP2C19ALDH1A1TSHRHPGD | |
| SCHEMBL8921313 | 0.76 | CCKBR (0.44) | CYP2C19RAB9AALDH1A1GAATSHR | |
| SCHEMBL9540184 | 0.75 | CYP2C19 (0.43) | CYP2C19KCNN4 |
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-5643904-A | Substituted hexahdryoazepinones and tetrahydrobenzazepinones | PFIZER INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5484917-A | FOR TREATMENT AND PREVENTION OF GASTROINTESTINAL DISORDERS, PAIN AND ANXIETY | PFIZER INC. (US) | 1996-01-16 | — | — | US | disclosed |
| WO-1993015059-A1 | 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS | PFIZER INC. (US) | 1993-08-05 | — | — | WO | disclosed |