Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.57 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.48 |
| ▸ | SGPL1 | O95470 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11072230 | 0.99 | CYP3A4 (0.56) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11213206 | 0.95 | CYP3A4 (0.52) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11072113 | 0.94 | CYP3A4 (0.50) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11145711 | 0.90 | CYP3A4 (0.53) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL8553812 | 0.89 | PLA2G2A (0.47) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11215122 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11074273 | 0.88 | CYP3A4 (0.58) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11073096 | 0.87 | CYP3A4 (0.57) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL12065071 | 0.86 | CYP3A4 (0.54) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 | |
| SCHEMBL11214160 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP2C8S1PR3CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4391731-A | Hydrogenated naphthalenes | HOFFMANN-LA ROCHE INC. (US) | 1983-07-05 | — | — | US | disclosed |
| EP-0047817-A2 | Hydrogenated naphthalines, their preparation and application, and mixtures containing such naphthalines | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-03-24 | — | — | EP | disclosed |