Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | BDKRB1 | P46663 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8300631 | 0.89 | GRIN2B (0.40) | CCR2HTR2AHRH1HTR2BGRIN2B | |
| SCHEMBL8305658 | 0.83 | CCNT1 (0.38) | LRRK2HTR2AHRH1HTR2BCXCR3 | |
| SCHEMBL8301361 | 0.83 | CYP2D6 (0.39) | CCR2HTR2AHRH1HTR2BGRIN2B | |
| SCHEMBL8300207 | 0.76 | CCR2 (0.34) | CCR2LRRK2CXCR3GRIN2BCHRM4 | |
| SCHEMBL8306016 | 0.75 | GRIN2B (0.38) | CCR2HTR2AHRH1HTR2BGRIN2B | |
| SCHEMBL8300676 | 0.74 | KDM4E (0.42) | GRIN2BCYP2D6CYP2C9 | |
| SCHEMBL8792322 | 0.74 | BDKRB1 (0.31) | CCR2GRIN2BBDKRB1 | |
| SCHEMBL8303817 | 0.73 | KDM4E (0.40) | CCR2HTR2AHRH1HTR2B | |
| SCHEMBL8612159 | 0.73 | OPRM1 (0.33) | LRRK2OPRM1OPRL1 | |
| SCHEMBL8299936 | 0.73 | KDM4E (0.41) | 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 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 |