Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.55 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | KMO | O15229 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL15757423 | 0.81 | NUDT1 (0.53) | AURKAPDPK1TGFBR1ROCK1AURKB | |
| SCHEMBL13127057 | 0.78 | KDM4E (0.60) | HSP90AA1HSP90AB1AURKAPDPK1TGFBR1 | |
| SCHEMBL5747382 | 0.78 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1AURKAPDPK1TGFBR1 | |
| SCHEMBL5750542 | 0.76 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1AURKAPDPK1TGFBR1 | |
| SCHEMBL18750373 | 0.76 | HSP90AA1 (0.63) | HSP90AA1HSP90AB1AURKAPDPK1TGFBR1 | |
| SCHEMBL2321136 | 0.75 | ADORA2A (0.53) | KMOADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL12813204 | 0.74 | KMO (0.44) | KMOADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL5745564 | 0.74 | ADORA2A (0.55) | HSP90AA1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL2327630 | 0.73 | ADORA2A (0.72) | ADORA2AADORA1 | |
| SCHEMBL7232111 | 0.72 | CYP1A2 (0.74) | HSP90AA1HSP90AB1AURKAPDPK1TGFBR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| EP-1321169-A1 | Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament | Biofrontera Pharmaceuticals AG (DE) | 2003-06-25 | — | — | EP | disclosed |
| CN-1109675-C | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-05-28 | — | — | CN | disclosed |
| US-5958934-A | 5-HT 2B ANTAGONIST | SYNTEX (U.S.A.) INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5952331-A | SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER | SYNTEX (USA) INC. (US) | 1999-09-14 | — | — | US | disclosed |
| CN-1223641-A | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-07-21 | — | — | CN | disclosed |
| EP-0901474-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| US-5863924-A | Aryl pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1999-01-26 | — | — | US | disclosed |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | disclosed |