Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.67 |
| ▸ | HTR2B | P41595 | 1/20 | 0.67 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5750219 | 0.82 | HTR1B (0.46) | HTR1BHTR2BGPR65ALDH1A1CYP1A2 | |
| SCHEMBL5748464 | 0.82 | HTR1B (0.47) | HTR1BHTR2BGPR65ALDH1A1CYP1A2 | |
| SCHEMBL18461518 | 0.82 | HTR1B (0.72) | HTR1BHTR2BGPR65ALOX5APFEN1 | |
| SCHEMBL8382821 | 0.81 | HTR1B (0.71) | HTR1BHTR2BGPR65ALOX5APFEN1 | |
| SCHEMBL375979 | 0.81 | HTR1B (1.00) | HTR1BHTR2BGPR65CYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL5746097 | 0.80 | HTR1B (0.97) | HTR1BHTR2BGPR65CYP1A2CYP2C9 | |
| SCHEMBL8469545 | 0.80 | HTR1B (0.97) | HTR1BHTR2BGPR65CYP1A2CYP2C9 | |
| SCHEMBL5750446 | 0.78 | HTR1B (0.67) | HTR1BHTR2BGPR65ALOX5APFEN1 | |
| SCHEMBL5749670 | 0.78 | HTR1B (0.44) | HTR1BHTR2BGPR65ALDH1A1CYP1A2 | |
| SCHEMBL5745878 | 0.78 | HTR1B (0.67) | HTR1BHTR2BGPR65CYP2C19KDM4E |
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 |