Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 10/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 10/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 10/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 8/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 8/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 8/20 | 0.48 |
| ▸ | GABRA6 | Q16445 | 6/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
| ▸ | GABRD | O14764 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRE | P78334 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9261107 | 0.88 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRG2 | |
| SCHEMBL9660108 | 0.83 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRG2 | |
| SCHEMBL8871551 | 0.81 | ALDH1A1 (0.74) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRG2 | |
| SCHEMBL9260791 | 0.81 | GABRG2 (0.67) | GABRG2GABRB3GABRA5GABRA1GABRA3 | |
| SCHEMBL9254656 | 0.79 | GABRG2 (0.52) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRG2 | |
| SCHEMBL6870825 | 0.79 | GABRG2 (0.63) | ALDH1A1CYP1A2CYP2C19GABRG2GABRB3 | |
| SCHEMBL6867089 | 0.78 | GABRG2 (0.70) | ALDH1A1CYP1A2CYP2C19GABRG2GABRB3 | |
| SCHEMBL18329262 | 0.77 | GABRG2 (0.69) | ALDH1A1CYP1A2CYP2C19GABRG2GABRB3 | |
| SCHEMBL9259121 | 0.77 | GABRG2 (0.68) | ALDH1A1CYP1A2CYP2C19CYP2C9GABRG2 | |
| SCHEMBL7330808 | 0.77 | GABRG2 (0.69) | ALDH1A1CYP1A2CYP2C19GABRG2GABRB3 |
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-5387585-A | Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia | HOFFMANN-LA ROCHE INC. (US) | 1995-02-07 | — | — | US | disclosed |