Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6887470 | 0.76 | CYP2A6 (0.43) | CYP1A2CYP2A6PDPK1BTKKDM4E | |
| SCHEMBL8327739 | 0.73 | F12 (0.48) | CYP1A2PDPK1KDM4EGPR3NPC1 | |
| SCHEMBL277601 | 0.70 | PDPK1 (0.60) | CYP1A2CYP2A6PDPK1BTKKDM4E | |
| SCHEMBL5470573 | 0.69 | NPC1 (0.63) | CYP1A2CYP2A6PDPK1BTKKDM4E | |
| Phthalazine SCHEMBL8266 | 0.67 | CYP2A6 (0.50) | CYP1A2CYP2A6PDPK1KDM4EGPR3 | |
| Phthalazine SCHEMBL22439995 | 0.67 | CYP2A6 (0.50) | CYP1A2CYP2A6PDPK1KDM4EGPR3 | |
| Phthalazine SCHEMBL29356700 | 0.67 | CYP2A6 (0.50) | CYP1A2CYP2A6PDPK1KDM4EGPR3 | |
| SCHEMBL2011388 | 0.65 | CYP1A2 (0.54) | CYP1A2CYP2A6PDPK1BTKKDM4E | |
| SCHEMBL31729529 | 0.65 | MAPT (0.61) | CYP1A2CYP2A6PDPK1BTKKDM4E | |
| SCHEMBL30930616 | 0.65 | CYP2A6 (0.54) | CYP1A2CYP2A6PDPK1BTKKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0960104-A1 | N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-12-01 | — | — | EP | disclosed |
| WO-1997038984-A1 | N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-10-23 | — | — | WO | disclosed |