Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 10/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8402081 | 0.88 | RAB9A (0.42) | CYP2C19HIF1AKEAP1NFE2L2CHRM3 | |
| SCHEMBL2498868 | 0.82 | CYP2C19 (0.42) | CYP2C19HIF1AKEAP1NFE2L2CHRM3 | |
| SCHEMBL2497751 | 0.82 | CYP2C19 (0.42) | CYP2C19HIF1AKEAP1NFE2L2CHRM3 | |
| SCHEMBL16191123 | 0.80 | CHRM2 (0.48) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL2762931 | 0.79 | CHRM2 (0.56) | CYP2C19HIF1AKEAP1NFE2L2CHRM3 | |
| SCHEMBL2504417 | 0.78 | CYP2C19 (0.45) | CYP2C19HIF1ACHRM3CHRM2CHRM1 | |
| SCHEMBL2495216 | 0.78 | CYP2C19 (0.45) | CYP2C19HIF1ACHRM3CHRM2CHRM1 | |
| SCHEMBL27826010 | 0.78 | CHRM2 (0.43) | KEAP1NFE2L2CHRM3CHRM2CHRM1 | |
| SCHEMBL7548234 | 0.77 | MIF (0.54) | CYP2C19HIF1APOLBCYP2D6 | |
| SCHEMBL7549871 | 0.77 | MIF (0.54) | CYP2C19HIF1APOLBCYP2D6 |
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 5 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 |
| CN-1074903-A | The six hydrogen azepine ketone and the tetrahydro benzo azepine ketone that replace | PFIZER (US) | 1993-08-04 | — | — | CN | disclosed |