Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | TGFBR2 | P37173 | 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 | |
|---|---|---|---|---|
| SCHEMBL5222786 | 0.81 | GRM2 (0.38) | MAP4K4PTGS1KDM4ETP53SMN1; SMN2 | |
| SCHEMBL2902352 | 0.81 | ALDH1A1 (0.45) | MAP4K4KDM4EALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL2761009 | 0.78 | SMO (0.43) | PTGS1ALDH1A1TP53SMN1; SMN2MAPT | |
| SCHEMBL5227418 | 0.78 | PTGS1 (0.38) | PTGS1KDM4EALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL5226500 | 0.76 | PTGS1 (0.36) | PTGS1KDM4EALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL2761237 | 0.76 | SMO (0.43) | PTGS1KDM4EALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL5227271 | 0.76 | DHODH (0.39) | PTGS1KDM4EALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL5225875 | 0.75 | CYP2D6 (0.36) | PTGS1ALDH1A1TP53SMN1; SMN2MAPT | |
| SCHEMBL5230496 | 0.75 | PTGS1 (0.37) | PTGS1KDM4EALDH1A1TP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1997589 | 0.75 | SMO (0.42) | PTGS1KDM4EALDH1A1TP53SMN1; SMN2 |
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 |