Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.43 |
| ▸ | SGPL1 | O95470 | 2/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11209198 | 0.99 | CYP3A4 (0.49) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL11206814 | 0.92 | MCHR1 (0.51) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL11213237 | 0.92 | MCHR1 (0.48) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL11206793 | 0.91 | MCHR1 (0.48) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL11213381 | 0.90 | MCHR1 (0.47) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL11209822 | 0.90 | CYP3A4 (0.53) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL11213297 | 0.90 | S1PR3 (0.53) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL11211031 | 0.90 | CYP3A4 (0.53) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL11207970 | 0.90 | CYP3A4 (0.48) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 | |
| SCHEMBL11214904 | 0.89 | S1PR3 (0.55) | MCHR1CYP3A4CYP2C8S1PR3CYP2D6 |
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 |