Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 12/20 | 0.40 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | TEC | P42680 | 1/20 | 0.34 |
| ▸ | TXK | P42681 | 1/20 | 0.34 |
| ▸ | BLK | P51451 | 1/20 | 0.34 |
| ▸ | BMX | P51813 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3663404 | 0.88 | GSK3B (0.41) | GSK3BCYP2D6 | |
| SCHEMBL3662618 | 0.87 | ALDH1A1 (0.44) | GSK3BCYP2D6 | |
| SCHEMBL3721475 | 0.85 | PDE2A (0.38) | GSK3BCYP2D6SLC6A9PDE2APDE4A | |
| SCHEMBL3661663 | 0.84 | GSK3B (0.42) | GSK3BCYP2D6PDE4B | |
| SCHEMBL3663942 | 0.83 | KCNMA1 (0.44) | GSK3B | |
| SCHEMBL3655065 | 0.83 | GSK3B (0.42) | GSK3BCYP2D6NPC1RAB9A | |
| SCHEMBL3661594 | 0.83 | GSK3B (0.40) | GSK3BCYP2D6 | |
| SCHEMBL3666453 | 0.80 | GSK3B (0.47) | GSK3BCYP2D6 | |
| SCHEMBL2064820 | 0.80 | GSK3B (0.48) | GSK3BCYP2D6 | |
| SCHEMBL3664336 | 0.79 | GSK3B (0.44) | GSK3BCYP2D6 |
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 |