Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 19/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1168730 | 0.89 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2F10 | |
| Hydrochloric Acid SCHEMBL3664307 | 0.88 | GSK3B (0.43) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL2065400 | 0.87 | F10 (0.43) | GSK3BCYP2D6CYP1A2F10 | |
| SCHEMBL3666171 | 0.86 | GSK3B (0.45) | GSK3BCYP2D6CYP1A2F10 | |
| SCHEMBL2064592 | 0.86 | F10 (0.44) | GSK3BCYP2D6CYP1A2F10 | |
| SCHEMBL2065363 | 0.85 | F10 (0.43) | GSK3BCYP2D6CYP1A2F10 | |
| SCHEMBL3661589 | 0.85 | F10 (0.40) | GSK3BCYP2D6CYP1A2F10 | |
| SCHEMBL3666807 | 0.84 | GSK3B (0.38) | GSK3BCYP2D6CYP1A2F10 | |
| SCHEMBL3662447 | 0.84 | GSK3B (0.45) | GSK3BCYP2D6CYP1A2F10 | |
| SCHEMBL2065707 | 0.84 | GSK3B (0.50) | GSK3BCYP2D6CYP1A2 |
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-2238141-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009095789-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |