Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6582903 | 0.89 | GRM5 (0.51) | ROCK2GRM5TSHRKMT2AALDH1A1 | |
| SCHEMBL7249158 | 0.79 | TSHR (0.44) | GRM5TSHRKMT2AALDH1A1MEN1 | |
| Acetic Acid SCHEMBL29291810 | 0.78 | KMT2A (0.52) | GRM5TSHRKMT2AALDH1A1MEN1 | |
| SCHEMBL6584416 | 0.77 | CCR3 (0.62) | KMT2AALDH1A1CCR3 | |
| SCHEMBL6583982 | 0.76 | CCR3 (0.64) | KMT2AALDH1A1CCR3 | |
| SCHEMBL6583644 | 0.76 | CYP2D6 (0.48) | TSHRALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL6590015 | 0.74 | CCR3 (0.48) | TSHRCYP3A4CCR3 | |
| SCHEMBL6583612 | 0.74 | CYP3A4 (0.44) | GRM5TSHRALDH1A1MAPTCYP3A4 | |
| SCHEMBL7248508 | 0.73 | KMT2A (0.60) | GRM5TSHRKMT2AALDH1A1MEN1 | |
| SCHEMBL6586931 | 0.71 | EPHX2 (0.47) | GRM5TSHRKMT2AALDH1A1MEN1 |
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 |