Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL8300631 | 0.94 | GRIN2B (0.40) | CYP2D6CYP2C9GRIN2BHTR2AHRH1 | |
| SCHEMBL8299936 | 0.86 | KDM4E (0.41) | CYP2D6KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL8301126 | 0.85 | KDM4E (0.40) | CYP2D6CYP2C9GRIN2BHTR2AKDM4E | |
| SCHEMBL8304068 | 0.85 | CYP2D6 (0.39) | CYP2D6CYP2C9GRIN2BHTR2AHRH1 | |
| SCHEMBL8300676 | 0.83 | KDM4E (0.42) | CYP2D6CYP2C9GRIN2BKDM4EMEN1 | |
| SCHEMBL8301158 | 0.83 | CCR2 (0.35) | CYP2D6CYP2C9GRIN2BHTR2AHRH1 | |
| SCHEMBL8303817 | 0.81 | KDM4E (0.40) | HTR2AHRH1HTR2BKDM4EMEN1 | |
| SCHEMBL8300686 | 0.80 | NAMPT (0.43) | CYP2D6CYP2C9GRIN2BHTR2AHRH1 | |
| SCHEMBL8306016 | 0.80 | GRIN2B (0.38) | CYP2D6CYP2C9GRIN2BHTR2AHRH1 | |
| SCHEMBL8614674 | 0.78 | NAMPT (0.35) | CYP2D6CYP2C9GRIN2BNAMPTGPR119 |
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 2 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 |
| US-5786371-A | INHIBIT AGGREGATION OF BLOOD PLATELETS | BOEHRINGER MANNHEIM GMBH (DE) | 1998-07-28 | — | — | US | disclosed |