Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 6/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 6/20 | 0.40 |
| ▸ | PARP1 | P09874 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | AQP1 | P29972 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL4596283 | 0.88 | HTR1A (0.44) | HTR1ABRD4CREBBPPARP1MAOA | |
| SCHEMBL4596522 | 0.84 | PTGS1 (0.37) | HTR1APTGS1PTGS2BRD4CREBBP | |
| SCHEMBL4596715 | 0.83 | HTR1A (0.43) | HTR1ABRD4CREBBPPARP1MAOA | |
| SCHEMBL4236002 | 0.82 | AQP1 (0.44) | PTGS1PTGS2AQP1NPC1RAB9A | |
| SCHEMBL4231158 | 0.82 | AQP1 (0.40) | PTGS1PTGS2AQP1NPC1RAB9A | |
| SCHEMBL4226320 | 0.80 | AQP1 (0.58) | PTGS1PTGS2AQP1NPC1CYP2C19 | |
| SCHEMBL4226325 | 0.80 | AQP1 (0.39) | PTGS1PTGS2AQP1CYP2C19 | |
| SCHEMBL6047940 | 0.77 | PARP1 (0.49) | HTR1ABRD4CREBBPPARP1MAOA | |
| SCHEMBL6047916 | 0.76 | HTR1A (0.42) | HTR1ABRD4CREBBPPARP1MAOA | |
| SCHEMBL4596981 | 0.76 | PARP1 (0.48) | HTR1ABRD4CREBBPPARP1MAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1874750-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth Incoporated (US) | 2008-01-09 | — | — | EP | disclosed |
| EP-1675840-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | Wyeth a Corporation of the State of Delaware (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005044812-A1 | DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS | WYETH A CORPORATION OF THE STATE OF DELAWARE (US) | 2005-05-19 | — | — | WO | disclosed |