Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 14/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3663942 | 0.91 | KCNMA1 (0.44) | GSK3B | |
| SCHEMBL3662618 | 0.90 | ALDH1A1 (0.44) | GSK3BCYP2D6TSHR | |
| SCHEMBL3663404 | 0.86 | GSK3B (0.41) | GSK3BCYP2D6 | |
| SCHEMBL3658243 | 0.84 | GSK3B (0.40) | GSK3BCYP2D6PDE4B | |
| SCHEMBL3655065 | 0.84 | GSK3B (0.42) | GSK3BCYP2D6TSHR | |
| SCHEMBL3664336 | 0.83 | GSK3B (0.44) | GSK3BCYP2D6CYP3A4 | |
| SCHEMBL3663921 | 0.82 | MCHR1 (0.38) | GSK3BCYP2D6HCRTR1HCRTR2 | |
| SCHEMBL3666557 | 0.81 | GSK3B (0.44) | GSK3BCYP2D6 | |
| SCHEMBL3662756 | 0.81 | GSK3B (0.44) | GSK3BCYP2D6CYP3A4 | |
| SCHEMBL2065165 | 0.81 | TSHR (0.42) | GSK3BCYP2D6HCRTR1HCRTR2PDE4B |
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 4 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 | claimed |
| 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 | claimed |
| 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 |