Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.78 |
| ▸ | HTR2B | P41595 | 1/20 | 0.78 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.78 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 2/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5747517 | 0.95 | HTR1B (0.74) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| SCHEMBL375979 | 0.88 | HTR1B (1.00) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| SCHEMBL29385708 | 0.88 | HTR1B (1.00) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| SCHEMBL29391421 | 0.88 | HTR1B (1.00) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| Hydrochloric Acid SCHEMBL5746097 | 0.86 | HTR1B (0.97) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| SCHEMBL8469545 | 0.86 | HTR1B (0.97) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| SCHEMBL5749142 | 0.82 | HTR1B (0.84) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| Hydrochloric Acid SCHEMBL8330669 | 0.80 | HTR1B (0.54) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| SCHEMBL5749044 | 0.79 | HTR1B (0.78) | HTR1BHTR2BGPR65AURKAPDPK1 | |
| Fumaric Acid SCHEMBL5773986 | 0.78 | HTR1B (0.80) | HTR1BHTR2BGPR65AURKAPDPK1 |
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 7 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 |
| 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 |
| 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 |