Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 6/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 10/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11213297 | 0.99 | S1PR3 (0.53) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11209822 | 0.97 | CYP3A4 (0.53) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11211057 | 0.96 | S1PR3 (0.55) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11211031 | 0.95 | CYP3A4 (0.53) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11212529 | 0.95 | S1PR3 (0.48) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11209198 | 0.90 | CYP3A4 (0.49) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11207970 | 0.89 | CYP3A4 (0.48) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11208808 | 0.89 | MCHR1 (0.48) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11213237 | 0.89 | MCHR1 (0.48) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL11206793 | 0.88 | MCHR1 (0.48) | S1PR3CYP3A4CYP2C8CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4391731-A | Hydrogenated naphthalenes | HOFFMANN-LA ROCHE INC. (US) | 1983-07-05 | — | — | US | disclosed |