Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.37 |
| ▸ | NAMPT | P43490 | 10/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8301361 | 0.85 | CYP2D6 (0.39) | CYP2D6CYP2C9GRIN2BITGB3ITGA2B | |
| SCHEMBL8306140 | 0.84 | KDM4E (0.39) | CYP2D6CYP2C9GRIN2BITGB3ITGA2B | |
| SCHEMBL8300631 | 0.81 | GRIN2B (0.40) | CYP2D6CYP2C9GRIN2BITGB3ITGA2B | |
| SCHEMBL8300686 | 0.80 | NAMPT (0.43) | CYP2D6CYP2C9GRIN2BITGB3ITGA2B | |
| SCHEMBL8614674 | 0.79 | NAMPT (0.35) | CYP2D6CYP2C9GRIN2BNAMPTGPR119 | |
| SCHEMBL8303601 | 0.77 | HRH3 (0.44) | CYP2C9ITGB3ITGA2BHRH1 | |
| SCHEMBL8301126 | 0.74 | KDM4E (0.40) | CYP2D6CYP2C9GRIN2BHTR2A | |
| SCHEMBL8306016 | 0.74 | GRIN2B (0.38) | CYP2D6CYP2C9GRIN2BITGB3ITGA2B | |
| SCHEMBL8299936 | 0.73 | KDM4E (0.41) | CYP2D6 | |
| SCHEMBL8300039 | 0.72 | ITGB3 (0.40) | CYP2D6CYP2C9GRIN2BITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0808306-B1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | ROCHE DIAGNOSTICS GMBH (DE) | 1999-08-04 | — | — | EP | disclosed |