Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7249158 | 0.84 | TSHR (0.44) | CYP2D6HSD17B10CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6582812 | 0.81 | CA12 (0.56) | CYP2D6HSD17B10EPHX2SIRT2SIRT1 | |
| SCHEMBL6582903 | 0.80 | GRM5 (0.51) | HSD17B10CYP3A4HIF1AALDH1A1TSHR | |
| SCHEMBL17296358 | 0.79 | BRD4 (0.57) | CYP2D6HSD17B10USP30 | |
| SCHEMBL6584416 | 0.79 | CCR3 (0.62) | ALDH1A1 | |
| SCHEMBL6583982 | 0.78 | CCR3 (0.64) | ALDH1A1 | |
| SCHEMBL377671 | 0.77 | ALDH1A1 (0.58) | CYP2D6HSD17B10CYP3A4ALDH1A1GPR119 | |
| SCHEMBL6583612 | 0.77 | CYP3A4 (0.44) | CYP2D6CYP3A4CYP2C9CYP2C19HIF1A | |
| Acetic Acid SCHEMBL29291810 | 0.77 | KMT2A (0.52) | CYP2D6HSD17B10SIRT2HIF1ACYP1A2 | |
| SCHEMBL6590015 | 0.76 | CCR3 (0.48) | CYP3A4HIF1ACYP1A2USP2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0960104-B1 | N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-06-16 | — | — | EP | disclosed |
| US-6521614-B1 | Anticoagulant agents for treatment and prevention of thromboembolic disorders | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-02-18 | — | — | US | disclosed |
| 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 |
| US-5925635-A | 2-(OXO-1,3-PERHYDRODIAZEPINES OR 3-OXO-2,3,4,5-TETRAHYDRO-1H-2,4-BENZODIAZEPINES; ANTICOAGULANTS; ENZYME INHIBITORS OF SERINE PROTEASE THROMBIN, KALLIKREIN AND PLASMIN; NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-07-20 | — | — | US | 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 |