Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8399095 | 0.88 | CYP19A1 (0.49) | CYP19A1MAOBALDH1A1ALDH2KDM4E | |
| SCHEMBL12121778 | 0.86 | KDM4E (0.59) | CYP19A1MAOBALDH1A1ALDH2KDM4E | |
| SCHEMBL6146093 | 0.86 | KDM4E (0.59) | CYP19A1MAOBALDH1A1ALDH2KDM4E | |
| SCHEMBL6146090 | 0.86 | KDM4E (0.59) | CYP19A1MAOBALDH1A1ALDH2KDM4E | |
| SCHEMBL6301379 | 0.82 | ALDH1A1 (0.49) | CYP19A1MAOBALDH1A1KDM4EGAA | |
| SCHEMBL8919310 | 0.82 | CYP19A1 (0.46) | CYP19A1MAOBKDM4EDDB1CRBN | |
| SCHEMBL12121784 | 0.82 | CYP19A1 (0.50) | CYP19A1MAOBALDH1A1ALDH2KDM4E | |
| SCHEMBL8922065 | 0.81 | CYP19A1 (0.47) | CYP19A1MAOBALDH1A1KDM4ESLC6A2 | |
| SCHEMBL6301799 | 0.81 | CYP19A1 (0.53) | CYP19A1MAOBKDM4ESLC6A2SLC6A4 | |
| SCHEMBL2484478 | 0.80 | DDB1 (0.47) | CYP19A1ALDH1A1KDM4EDDB1CRBN |
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 |