Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8888361 | 0.92 | CYP1A2 (0.50) | CYP1A2HPGDMAPK13RAF1MAPK12 | |
| SCHEMBL8888295 | 0.90 | CYP1A2 (0.53) | CYP1A2HPGDMAPK13RAF1MAPK12 | |
| SCHEMBL8889786 | 0.87 | CYP1A2 (0.45) | CYP1A2HPGDMAPK11MAPK14GPR119 | |
| SCHEMBL8889476 | 0.83 | CYP1A2 (0.51) | CYP1A2HPGDGPR119KDM4EALDH1A1 | |
| SCHEMBL8890194 | 0.82 | CYP1A2 (0.50) | CYP1A2HPGDMAPK13RAF1MAPK12 | |
| SCHEMBL8887885 | 0.82 | CYP1A2 (0.50) | CYP1A2HPGDMAPK13RAF1MAPK12 | |
| SCHEMBL8887621 | 0.82 | CYP1A2 (0.50) | CYP1A2HPGDMAPK14GPR119KDM4E | |
| SCHEMBL8888926 | 0.82 | KMT2A (0.57) | CYP1A2HPGDGPR119KDM4EALDH1A1 | |
| SCHEMBL7584622 | 0.80 | CYP1A2 (0.58) | CYP1A2HPGDGPR119CYP2C9CYP2C19 | |
| SCHEMBL8889663 | 0.79 | CYP1A2 (0.47) | CYP1A2HPGDGPR119KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997001551-A1 | PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-16 | — | — | WO | disclosed |