Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6584209 | 0.92 | TSHR (0.51) | KMT2AALDH1A1MEN1MAPTTSHR | |
| SCHEMBL7248325 | 0.81 | KMT2A (0.57) | KMT2AALDH1A1MEN1MAPTTSHR | |
| SCHEMBL7248947 | 0.76 | MAPT (1.00) | KMT2AALDH1A1MEN1MAPTTSHR | |
| SCHEMBL30606801 | 0.76 | MAPT (0.87) | KMT2AALDH1A1MEN1MAPTNPC1 | |
| SCHEMBL29580531 | 0.76 | MAPT (0.87) | KMT2AALDH1A1MEN1MAPTNPC1 | |
| SCHEMBL6582903 | 0.75 | GRM5 (0.51) | KMT2AALDH1A1MEN1MAPTTSHR | |
| SCHEMBL7249887 | 0.73 | PLAU (0.45) | NPC1RAB9AALOX15 | |
| SCHEMBL6583907 | 0.73 | ROCK2 (0.50) | KMT2AALDH1A1MEN1MAPTTSHR | |
| SCHEMBL1608427 | 0.72 | VNN1 (0.42) | NPC1RAB9AGAAHTT | |
| SCHEMBL6991463 | 0.72 | TSHR (0.51) | KMT2AALDH1A1MEN1MAPTTSHR |
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-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 |