Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | ACP1 | P24666 | 2/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.33 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.33 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5748953 | 0.82 | HTR1B (0.46) | HTR1BHTR2BGPR65ACP1PSMB5 | |
| SCHEMBL5748111 | 0.82 | HTR1B (0.67) | HTR1BHTR2BGPR65LMNACYP1A2 | |
| SCHEMBL5745041 | 0.80 | HTR1B (0.45) | HTR1BHTR2BGPR65ACP1PSMB5 | |
| SCHEMBL5746763 | 0.80 | HTR1B (0.42) | HTR1BHTR2BGPR65PPARGACP1 | |
| SCHEMBL5748464 | 0.75 | HTR1B (0.47) | HTR1BHTR2BGPR65LMNACYP1A2 | |
| SCHEMBL5751623 | 0.73 | HTR1B (0.41) | HTR1BHTR2BGPR65ACP1LMNA | |
| SCHEMBL5749670 | 0.72 | HTR1B (0.44) | HTR1BHTR2BGPR65LMNACYP1A2 | |
| SCHEMBL8331612 | 0.71 | HTR1B (0.70) | HTR1BHTR2BGPR65LMNACYP1A2 | |
| SCHEMBL5750214 | 0.71 | HTR1B (0.39) | HTR1BHTR2BGPR65LMNACYP1A2 | |
| SCHEMBL5750661 | 0.68 | HTR1B (0.60) | HTR1BHTR2BGPR65LMNACYP1A2 |
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 5 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 |
| US-5863924-A | Aryl pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1999-01-26 | — | — | US | disclosed |