Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 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 | |
|---|---|---|---|---|
| SCHEMBL5225875 | 0.85 | CYP2D6 (0.36) | KDM1ASMOPTGS1CXCR3CYP2D6 | |
| SCHEMBL5228002 | 0.83 | TSHR (0.39) | MCHR1SMOPTGS1KDM4ETP53 | |
| SCHEMBL2761237 | 0.82 | SMO (0.43) | SMOPTGS1KDM4EL3MBTL1TP53 | |
| SCHEMBL2761009 | 0.82 | SMO (0.43) | SMOPTGS1L3MBTL1TP53SMN1; SMN2 | |
| SCHEMBL5224732 | 0.81 | MAP4K4 (0.34) | MCHR1PTGS1MAP4K4CYP2D6HRH1 | |
| Hydrochloric Acid SCHEMBL1997589 | 0.81 | SMO (0.42) | SMOPTGS1KDM4EL3MBTL1TP53 | |
| SCHEMBL2761177 | 0.80 | DRD4 (0.42) | SMOPTGS1KDM4ETP53 | |
| SCHEMBL2761137 | 0.80 | SMO (0.41) | SMOPTGS1L3MBTL1TP53SMN1; SMN2 | |
| SCHEMBL5223970 | 0.79 | ADORA2A (0.40) | MCHR1SMOPTGS1KCNH2L3MBTL1 | |
| SCHEMBL5228047 | 0.79 | HTR2C (0.37) | MCHR1CXCR3KDM4E |
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-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |