Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 11/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541670 | 0.89 | CCKBR (0.51) | CCKBRCYP2C19KMT2A | |
| SCHEMBL8923711 | 0.88 | CCKBR (0.47) | CCKBRCYP2C19 | |
| SCHEMBL9366810 | 0.88 | CYP2C19 (0.47) | CCKBRCYP2C19KMT2A | |
| SCHEMBL8922239 | 0.87 | SLC6A2 (0.42) | CYP2C19 | |
| SCHEMBL8920561 | 0.86 | CCKBR (0.49) | CCKBRCYP2C19KMT2A | |
| SCHEMBL8922081 | 0.81 | CYP2C19 (0.43) | CCKBRCYP2C19 | |
| SCHEMBL8919363 | 0.81 | CCKBR (0.48) | CCKBRCYP2C19 | |
| SCHEMBL8924340 | 0.80 | CYP2C19 (0.46) | CYP2C19 | |
| SCHEMBL8401370 | 0.80 | CCKBR (0.48) | CCKBR | |
| SCHEMBL8399132 | 0.78 | CCKBR (0.50) | CCKBRCYP2C19 |
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 |