Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 13/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL914927 | 0.90 | GSK3B (0.47) | GSK3BALDH1A1SMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL3662330 | 0.84 | GSK3B (0.47) | GSK3BCYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL3665578 | 0.83 | GSK3B (0.47) | GSK3BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3664584 | 0.81 | GSK3B (0.46) | GSK3BCYP1A2CYP2D6 | |
| SCHEMBL15158304 | 0.80 | MEN1 (0.41) | GSK3BALDH1A1KDM4ESMN1; SMN2CYP2D6 | |
| SCHEMBL3665691 | 0.79 | GSK3B (0.45) | GSK3BCYP1A2CYP2D6TDP1 | |
| SCHEMBL3662447 | 0.79 | GSK3B (0.45) | GSK3BCYP1A2CYP2D6NOS1NOS2 | |
| SCHEMBL3662679 | 0.78 | GSK3B (0.44) | GSK3BALDH1A1SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL1832106 | 0.78 | GSK3B (0.49) | GSK3BCYP2D6 | |
| SCHEMBL916300 | 0.78 | GSK3B (0.49) | 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 |