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 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7076237 | 0.78 | KMO (0.47) | HTR1BHTR2BGPR65GRM2CYP1A2 | |
| Hydrochloric Acid SCHEMBL5748154 | 0.77 | HTR1B (0.66) | HTR1BHTR2BGPR65ADORA2AHSP90AA1 | |
| SCHEMBL5747580 | 0.76 | HTR1B (0.60) | HTR1BHTR2BGPR65ADORA2AHSP90AA1 | |
| SCHEMBL375979 | 0.75 | HTR1B (1.00) | HTR1BHTR2BGPR65ADORA2AADORA1 | |
| SCHEMBL29385708 | 0.75 | HTR1B (1.00) | HTR1BHTR2BGPR65ADORA2AADORA1 | |
| SCHEMBL5750094 | 0.75 | HTR1B (0.63) | HTR1BHTR2BGPR65ADORA2AHSP90AA1 | |
| SCHEMBL29391421 | 0.75 | HTR1B (1.00) | HTR1BHTR2BGPR65ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL5746689 | 0.74 | HTR1B (0.61) | HTR1BHTR2BGPR65HSP90AA1HSP90AB1 | |
| SCHEMBL5748096 | 0.74 | HTR1B (0.61) | HTR1BHTR2BGPR65ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL5746097 | 0.74 | HTR1B (0.97) | HTR1BHTR2BGPR65ADORA2AADORA1 |
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 |
| 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 |
| WO-1997044326-A1 | ARYL PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-27 | — | — | WO | disclosed |