Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 8/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.49 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | GNG2 | P59768 | 1/20 | 0.41 |
| ▸ | GNB1 | P62873 | 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 | |
|---|---|---|---|---|
| SCHEMBL243504 | 1.00 | GSK3B (0.55) | GSK3BCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23112482 | 0.85 | GSK3B (0.55) | GSK3BCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2278168 | 0.83 | CYP3A4 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL2097486 | 0.83 | GSK3B (0.53) | GSK3BCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27778655 | 0.83 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 | |
| SCHEMBL1726590 | 0.82 | GSK3B (0.61) | GSK3BPTPN1 | |
| SCHEMBL30187429 | 0.82 | GSK3B (0.61) | GSK3BPTPN1 | |
| SCHEMBL29514695 | 0.82 | GSK3B (0.61) | GSK3BPTPN1 | |
| SCHEMBL747174 | 0.82 | GSK3B (0.61) | GSK3BPTPN1 | |
| SCHEMBL2075296 | 0.81 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19TAS1R3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436933-B1 | 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE | STRUCTURAL BIOINFORMATICS INC. | 2002-08-20 | — | — | US | disclosed |