Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 7/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 10/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8922688 | 0.96 | CCKBR (0.41) | CCKBRRIPK1 | |
| SCHEMBL8922202 | 0.95 | CCKBR (0.41) | CCKBRSIGMAR1 | |
| SCHEMBL8920539 | 0.94 | CCKBR (0.36) | CCKBRRIPK1 | |
| SCHEMBL9365827 | 0.94 | CCKBR (0.36) | CCKBRRIPK1 | |
| SCHEMBL8920125 | 0.92 | HSD11B1 (0.37) | CCKBROPRM1OPRD1 | |
| SCHEMBL8922537 | 0.91 | CCKBR (0.44) | CCKBROPRM1OPRD1 | |
| SCHEMBL8924408 | 0.91 | CCKBR (0.43) | CCKBRRIPK1OPRM1OPRD1 | |
| SCHEMBL9362066 | 0.91 | CCKBR (0.44) | CCKBROPRM1OPRD1 | |
| SCHEMBL8920550 | 0.88 | GRIN2B (0.41) | CCKBR | |
| SCHEMBL8920740 | 0.87 | CCKBR (0.36) | CCKBRRIPK1SIGMAR1 |
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 4 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 |
| EP-0625145-A1 | 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS | PFIZER INC. (US) | 1994-11-23 | — | — | EP | 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 |