Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 13/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 13/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8306140 | 0.74 | KDM4E (0.39) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8302338 | 0.73 | ITGB3 (0.42) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8619225 | 0.73 | HIF1A (0.33) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8304068 | 0.72 | CYP2D6 (0.39) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8303601 | 0.72 | HRH3 (0.44) | ITGB3ITGA2BCYP2C9 | |
| SCHEMBL8300260 | 0.68 | ITGB3 (0.38) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL30267426 | 0.65 | EPHX1 (0.44) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8300331 | 0.64 | KDM4E (0.43) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8300007 | 0.63 | HSD11B1 (0.32) | ITGB3ITGA2BHSD11B1 | |
| SCHEMBL8303817 | 0.61 | KDM4E (0.40) | ITGB3ITGA2BBCHE |
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 |