Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL7474749 | 0.88 | CYP2D6 (0.49) | CYP2D6CYP2C9HIF1AALDH1A1SMN1; SMN2 | |
| SCHEMBL5323843 | 0.81 | MAPK14 (0.56) | ALDH1A1DYRK1A | |
| SCHEMBL7475922 | 0.80 | MAPK14 (0.44) | ALDH1A1LMNAGAAHTTALOX15 | |
| SCHEMBL7482460 | 0.80 | MAPK14 (0.53) | ALOX15 | |
| SCHEMBL7481210 | 0.79 | PTAFR (0.42) | ALDH1A1KDM4EHTTALOX15 | |
| SCHEMBL7464576 | 0.78 | ALOX15 (0.47) | ALOX15 | |
| SCHEMBL7474793 | 0.78 | ALOX15 (0.44) | GAAALOX15 | |
| SCHEMBL7480688 | 0.76 | ALOX15 (0.43) | ALOX15 | |
| SCHEMBL7473891 | 0.75 | MAPK14 (0.52) | ALOX15 | |
| SCHEMBL7479297 | 0.73 | MAPK14 (0.54) | DYRK1AALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218346-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021591-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-29 | — | — | WO | disclosed |
| EP-1075467-A1 | PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999057101-A1 | PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 1999-11-11 | — | — | WO | disclosed |