Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 18/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | BRD1 | O95696 | 1/20 | 0.41 |
| ▸ | BRPF3 | Q9ULD4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3663726 | 0.93 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3666453 | 0.91 | GSK3B (0.47) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3664336 | 0.91 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3666557 | 0.90 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3661728 | 0.90 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3662756 | 0.90 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3659720 | 0.90 | GSK3B (0.45) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3662618 | 0.89 | ALDH1A1 (0.44) | GSK3BCYP2D6BRPF1BRD4BRD1 | |
| Hydrochloric Acid SCHEMBL3666916 | 0.89 | GSK3B (0.43) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL2065359 | 0.88 | GSK3B (0.46) | 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 |