Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.49 |
| ▸ | AQP1 | P29972 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4596728 | 0.91 | SIRT2 (0.52) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4596403 | 0.89 | SIRT2 (0.48) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4596987 | 0.88 | SIRT2 (0.55) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4595085 | 0.88 | SIRT2 (0.54) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4596108 | 0.85 | AQP1 (0.51) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6047946 | 0.84 | SIRT2 (0.46) | SIRT2AQP1CXCR2DRD4CYP3A4 | |
| SCHEMBL4596679 | 0.83 | SIRT2 (0.50) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4226179 | 0.82 | AQP1 (0.70) | AQP1CYP1A2PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL6047969 | 0.80 | CYP3A4 (0.44) | SIRT2DRD4CYP3A4PRKAB2PRKAG1 | |
| SCHEMBL4233789 | 0.80 | AQP1 (0.43) | AQP1NPC1RAB9APRKAB2PRKAG1 |
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 1 patent. 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 |