Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 3/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | MERTK | Q12866 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5749638 | 0.93 | HTR1B (0.58) | HTR1BHTR2BGPR65KDM4EADORA2A | |
| SCHEMBL8386261 | 0.91 | HTR1B (0.64) | HTR1BHTR2BGPR65KDM4EADORA2A | |
| SCHEMBL5750582 | 0.90 | HTR1B (0.63) | HTR1BHTR2BGPR65KDM4EADORA2A | |
| Bromide SCHEMBL8386216 | 0.88 | HTR1B (0.58) | HTR1BHTR2BGPR65KDM4EMAPK14 | |
| Hydrochloric Acid SCHEMBL5750473 | 0.88 | HTR1B (0.58) | HTR1BHTR2BGPR65KDM4EMAPK14 | |
| Hydrochloric Acid SCHEMBL7132300 | 0.88 | HTR1B (0.58) | HTR1BHTR2BGPR65KDM4EADORA2A | |
| SCHEMBL5749037 | 0.87 | HTR1B (0.57) | HTR1BHTR2BGPR65KDM4EATM | |
| Hydrochloric Acid SCHEMBL5772441 | 0.86 | HTR1B (0.56) | HTR1BHTR2BGPR65KDM4EMAPK14 | |
| SCHEMBL5750661 | 0.86 | HTR1B (0.60) | HTR1BHTR2BGPR65KDM4EAPP | |
| Bromide SCHEMBL8385266 | 0.85 | HTR1B (0.54) | HTR1BHTR2BGPR65KDM4EADORA2A |
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 |