Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.51 |
| ▸ | REN | P00797 | 2/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.35 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL5746715 | 0.81 | HTR1B (0.55) | HTR1BHTR2BGPR65PDPK1AURKA | |
| Hydrochloric Acid SCHEMBL5748450 | 0.80 | HTR1B (0.54) | HTR1BHTR2BGPR65PDPK1AURKA | |
| SCHEMBL5747652 | 0.78 | HTR1B (0.70) | HTR1BHTR2BGPR65PDPK1AURKA | |
| SCHEMBL5749142 | 0.73 | HTR1B (0.84) | HTR1BHTR2BGPR65PDPK1AURKA | |
| SCHEMBL7072365 | 0.70 | HTR1B (0.74) | HTR1BHTR2BGPR65PDPK1AURKA | |
| SCHEMBL5748001 | 0.69 | HTR1B (0.54) | HTR1BHTR2BGPR65PDPK1AURKA | |
| SCHEMBL31492457 | 0.69 | AHR (0.60) | RENPDPK1AHRNR3C1PGR | |
| SCHEMBL5749889 | 0.69 | HTR1B (0.72) | HTR1BHTR2BGPR65PDPK1AURKA | |
| SCHEMBL29385708 | 0.68 | HTR1B (1.00) | HTR1BHTR2BGPR65PDPK1AURKA | |
| SCHEMBL29391421 | 0.68 | HTR1B (1.00) | HTR1BHTR2BGPR65PDPK1AURKA |
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 10 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 | claimed |
| 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 |