Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7366176 | 0.84 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7340213 | 0.80 | GABRA1 (0.55) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7278462 | 0.79 | ALDH1A1 (0.78) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL7393393 | 0.74 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15024705 | 0.72 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL7390814 | 0.71 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL8871551 | 0.71 | ALDH1A1 (0.74) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| Ro-194603 SCHEMBL2464268 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL8871074 | 0.71 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL7334987 | 0.70 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19 |
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-0790999-A1 | OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996015129-A1 | OXAZOLYL- AND THIAZOLYLIMIDAZO-BENZO- AND THIENODIAZEPINES AND THEIR USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-23 | — | — | WO | disclosed |