Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | USP2 | O75604 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | CASP7 | P55210 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 7/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | STK4 | Q13043 | 1/20 | 0.40 |
| ▸ | STK3 | Q13188 | 1/20 | 0.40 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.40 |
| ▸ | STK26 | Q9P289 | 1/20 | 0.40 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6814314 | 0.84 | — | — | |
| SCHEMBL6819066 | 0.83 | — | — | |
| SCHEMBL6814766 | 0.83 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C19CYP2C9TSHR | |
| SCHEMBL6818786 | 0.80 | STK4 (0.42) | STK4STK3SIK2STK26STK24 | |
| SCHEMBL6817702 | 0.79 | — | — | |
| SCHEMBL6814620 | 0.79 | ALDH1A1 (0.40) | CYP1A2ALDH1A1HSD17B10CASP1CASP7 | |
| SCHEMBL6818381 | 0.78 | CYP1A2 (0.46) | CYP1A2ALDH1A1CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL6817739 | 0.76 | CYP1A2 (0.43) | CYP1A2ALDH1A1CYP3A4HSD17B10CYP2C19 | |
| SCHEMBL6818661 | 0.76 | ALDH1A1 (0.39) | CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL6082587 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004031189-A1 | PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2004-04-15 | — | — | WO | disclosed |