Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 2/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | PRCP | P42785 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8300679 | 0.93 | CCR3 (0.39) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8300003 | 0.92 | CCR3 (0.39) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8300030 | 0.87 | KDM4E (0.45) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8300507 | 0.81 | KDM4E (0.43) | ITGB3ITGA2BCYP2D6 | |
| SCHEMBL8304879 | 0.80 | KDM4E (0.42) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8302338 | 0.80 | ITGB3 (0.42) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8301129 | 0.76 | TRPV6 (0.47) | ITGB3ITGA2BKDM1A | |
| SCHEMBL8298652 | 0.76 | ITGB3 (0.45) | ITGB3ITGA2BCYP2D6CYP2C9GRIN2B | |
| SCHEMBL8305139 | 0.75 | CDK9 (0.36) | CYP2D6SIGMAR1 | |
| SCHEMBL14409559 | 0.75 | CYP3A4 (0.46) | CYP2D6 |
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 3 patents. 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 |
| EP-0808306-A1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024586-A1 | NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-08-15 | — | — | WO | disclosed |