Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 18/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4217864 | 0.88 | GSK3B (0.41) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL3658703 | 0.86 | GSK3B (0.53) | GSK3BCYP2D6 | |
| SCHEMBL4210550 | 0.84 | GSK3B (0.54) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL4380859 | 0.82 | GSK3B (0.40) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL4221005 | 0.81 | ROCK1 (0.45) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL3398094 | 0.80 | GSK3B (0.39) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL3658356 | 0.80 | GSK3B (0.48) | GSK3B | |
| Hydrochloric Acid SCHEMBL4212507 | 0.79 | GSK3B (0.47) | GSK3BCYP2D6 | |
| SCHEMBL4391271 | 0.73 | GSK3B (0.39) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL4217866 | 0.73 | GSK3B (0.42) | GSK3BCYP1A2CYP2D6 |
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-2238140-B1 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI SA (FR) | 2013-07-17 | — | — | EP | claimed |
| EP-2130922-A1 | IMPROVED HALOHYDRIN EPOXIDASE | Mitsubishi Rayon Co. Ltd. (JP) | 2009-12-09 | — | — | EP | disclosed |