Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 15/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 15/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 14/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9254656 | 0.85 | GABRG2 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRG2 | |
| SCHEMBL9660344 | 0.83 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRG2 | |
| SCHEMBL9262794 | 0.81 | GABRG2 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRG2 | |
| SCHEMBL9661161 | 0.77 | ALDH1A1 (0.38) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRG2 | |
| SCHEMBL7339291 | 0.76 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRG2 | |
| SCHEMBL9263997 | 0.71 | GABRG2 (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRG2 | |
| SCHEMBL9263686 | 0.69 | GABRA1 (0.33) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL9259121 | 0.68 | GABRG2 (0.68) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRG2 | |
| SCHEMBL15024705 | 0.67 | ALDH1A1 (0.72) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRG2 | |
| SCHEMBL8871074 | 0.66 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5387585-A | Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia | HOFFMANN-LA ROCHE INC. (US) | 1995-02-07 | — | — | US | disclosed |
| EP-0519307-A2 | Tetracyclic Imidazodiazepines | F. HOFFMANN-LA ROCHE AG (CH) | 1992-12-23 | — | — | EP | disclosed |