Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AQP1 | P29972 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4234302 | 1.00 | AQP1 (0.62) | AQP1CYP1A2CYP2C19CYP2C9MIF | |
| SCHEMBL3344458 | 0.83 | AQP1 (0.44) | AQP1CYP1A2CYP2C19CYP2C9MIF | |
| SCHEMBL5361629 | 0.83 | AQP1 (0.44) | AQP1CYP1A2CYP2C19CYP2C9MIF | |
| SCHEMBL5361633 | 0.83 | AQP1 (0.44) | AQP1CYP1A2CYP2C19CYP2C9MIF | |
| SCHEMBL4226488 | 0.81 | AQP1 (0.65) | AQP1PRKAB2PRKAG1PRKAA2PRKAA1 | |
| SCHEMBL28393554 | 0.81 | CYP2C9 (0.43) | AQP1CYP1A2CYP2C19CYP2C9MIF | |
| SCHEMBL13306783 | 0.81 | AQP1 (0.42) | AQP1CYP1A2CYP2C19CYP2C9MIF | |
| SCHEMBL4226184 | 0.81 | AQP1 (0.64) | AQP1ALDH1A1KDM4EPRKAB2PRKAG1 | |
| SCHEMBL4620582 | 0.80 | AQP1 (0.63) | AQP1TSHR | |
| SCHEMBL4220568 | 0.79 | AQP1 (0.72) | AQP1PRKAB2PRKAG1PRKAA2PRKAA1 |
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 |