Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 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 | |
|---|---|---|---|---|
| SCHEMBL7385422 | 0.95 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL7427138 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL7394260 | 0.87 | GABRA1 (0.38) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7393723 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL7393119 | 0.85 | — | — | |
| SCHEMBL7390162 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL7393854 | 0.84 | GABRA1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL7393389 | 0.82 | GABRG2 (0.56) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7392913 | 0.82 | GABRA1 (0.64) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7397263 | 0.82 | GABRG2 (0.48) | ALDH1A1CYP1A2CYP2C19GABRA1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0672666-B1 | Imidazodiazepins | HOFFMANN LA ROCHE (CH) | 2001-07-25 | — | — | EP | disclosed |
| US-5665718-A | ANXIOLYTIC, ANTICONVULSANT, MUSCLE RELAXANT, SEDATIVE, HYPNOTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1997-09-09 | — | — | US | disclosed |