Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | GABRA1 | P14867 | 14/20 | 0.60 |
| ▸ | GABRG2 | P18507 | 14/20 | 0.60 |
| ▸ | GABRB3 | P28472 | 14/20 | 0.60 |
| ▸ | GABRA5 | P31644 | 14/20 | 0.60 |
| ▸ | GABRA3 | P34903 | 14/20 | 0.60 |
| ▸ | GABRA6 | Q16445 | 14/20 | 0.60 |
| ▸ | GABRA2 | P47869 | 9/20 | 0.59 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.59 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11179069 | 0.86 | GABRA1 (0.68) | ALDH1A1CYP1A2CYP2C19GABRA1GABRG2 | |
| SCHEMBL11117099 | 0.86 | GABRA1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL11108814 | 0.86 | GABRA1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL11885890 | 0.86 | ALDH1A1 (0.63) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL11116205 | 0.86 | GABRA1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL11110301 | 0.86 | GABRA1 (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL11885892 | 0.83 | GABRA1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL11113509 | 0.81 | GABRA1 (0.76) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL12821992 | 0.81 | ALDH1A1 (0.64) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 | |
| SCHEMBL12822563 | 0.80 | GABRA1 (0.66) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0059389-B1 | IMIDAZODIAZEPINES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-12-12 | — | — | EP | claimed |
| US-4352817-A | ANTIDOTE FOR TRANQUILLIZING EFFECTS OF 1,4-BENZODIAZEPINES | HOFFMANN-LA ROCHE INC. (US) | 1982-10-05 | — | — | US | claimed |
| EP-0059389-A1 | Imidazodiazepines, process for their preparation and medicines containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-09-08 | — | — | EP | claimed |
| US-4352817-A | ANTIDOTE FOR TRANQUILLIZING EFFECTS OF 1,4-BENZODIAZEPINES | HOFFMANN-LA ROCHE INC. (US) | 1982-10-05 | — | — | US | disclosed |
| EP-0059389-A1 | Imidazodiazepines, process for their preparation and medicines containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-09-08 | — | — | EP | disclosed |