Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | 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 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5612911 | 0.86 | KDM4E (0.55) | CYP19A1KDM4ECLK4S100A4OPRK1 | |
| SCHEMBL6301379 | 0.82 | ALDH1A1 (0.49) | CYP19A1MAOAMAOBKDM4EDDB1 | |
| SCHEMBL8920465 | 0.82 | CYP19A1 (0.50) | CYP19A1MAOBKDM4EDDB1CRBN | |
| SCHEMBL2490001 | 0.81 | RAB9A (0.46) | KDM4EALOX12 | |
| SCHEMBL7749761 | 0.81 | GAA (0.43) | KDM4E | |
| SCHEMBL2484478 | 0.80 | DDB1 (0.47) | CYP19A1KDM4EDDB1CRBNPDGFRA | |
| SCHEMBL19380843 | 0.80 | DDB1 (0.47) | CYP19A1KDM4EDDB1CRBNPDGFRA | |
| SCHEMBL6300185 | 0.79 | MAOB (0.41) | CYP19A1MAOAMAOBKDM4EALOX15 | |
| SCHEMBL8921227 | 0.78 | HTT (0.48) | CYP19A1KDM1AMAOAMAOBALOX12 | |
| SCHEMBL6301799 | 0.78 | CYP19A1 (0.53) | CYP19A1KDM1AMAOAMAOBKDM4E |
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 |