Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.52 |
| ▸ | CES1 | P23141 | 4/20 | 0.52 |
| ▸ | MAOB | P27338 | 5/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2150739 | 0.93 | CES2 (0.47) | CES2CES1MAOBHTTMAOA | |
| SCHEMBL11570 | 0.82 | CES2 (0.68) | CES2CES1MAOBHTTMAOA | |
| SCHEMBL29372550 | 0.82 | CES2 (0.68) | CES2CES1MAOBHTTMAOA | |
| SCHEMBL29392762 | 0.79 | CNR1 (0.47) | CES2CES1KMT2ANPC1RAB9A | |
| SCHEMBL401068 | 0.79 | CNR1 (0.47) | CES2CES1KMT2ANPC1RAB9A | |
| SCHEMBL364307 | 0.78 | CES2 (0.68) | CES2CES1MAOBMAOAKCNH2 | |
| SCHEMBL29766689 | 0.78 | CES2 (0.68) | CES2CES1MAOBMAOAKCNH2 | |
| SCHEMBL5214098 | 0.76 | CES2 (0.48) | CES2CES1MAOBMAOACA3 | |
| SCHEMBL5749864 | 0.75 | CES2 (0.41) | CES2CES1HTTNPC1RAB9A | |
| SCHEMBL20356017 | 0.75 | CA3 (0.48) | CES2CES1HTTCA3CA6 |
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 6 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 |
| 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 |