Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.55 |
| ▸ | AQP1 | P29972 | 3/20 | 0.54 |
| ▸ | 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 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4596108 | 0.90 | AQP1 (0.51) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4596777 | 0.88 | SIRT2 (0.49) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4219183 | 0.83 | AQP1 (0.65) | SIRT2AQP1EZH2 | |
| SCHEMBL4596497 | 0.82 | SIRT2 (0.56) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4596728 | 0.81 | SIRT2 (0.52) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4595085 | 0.81 | SIRT2 (0.54) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4595432 | 0.81 | SIRT2 (0.52) | SIRT2AQP1DRD4CYP3A4 | |
| SCHEMBL5140093 | 0.81 | AQP1 (0.58) | SIRT2AQP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4220292 | 0.80 | AQP1 (0.79) | SIRT2AQP1EZH2 | |
| SCHEMBL6368238 | 0.80 | AQP1 (0.47) | SIRT2AQP1NPC1RAB9AEZH2 |
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 |