Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.51 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5321309 | 0.85 | MAPK14 (0.61) | KDM4ETSHRTP53MAPK14CNR1 | |
| SCHEMBL7478499 | 0.84 | MAPK14 (0.54) | KDM4ETSHRTP53MAPK14KEAP1 | |
| Hydrochloric Acid SCHEMBL7466695 | 0.84 | MAPK14 (0.60) | KDM4ETSHRTP53MAPK14KEAP1 | |
| SCHEMBL6157820 | 0.75 | MAPK14 (0.74) | KDM4ETSHRTP53MAPK14KEAP1 | |
| SCHEMBL4376838 | 0.74 | KDM4E (0.68) | KDM4ETSHRTP53MAPK14KEAP1 | |
| SCHEMBL10480077 | 0.74 | KDM4E (0.65) | KDM4ETSHRTP53MAPK14KEAP1 | |
| SCHEMBL4698008 | 0.73 | KDM4E (0.70) | KDM4ETSHRTP53MAPK14KEAP1 | |
| SCHEMBL15459823 | 0.72 | ALDH1A1 (0.67) | KDM4ETSHRTP53MAPK14KEAP1 | |
| SCHEMBL7475939 | 0.72 | FKBP1A (0.53) | KDM4EMAPK14ALDH1A1NPC1ROCK2 | |
| SCHEMBL385247 | 0.70 | KDM4E (0.62) | KDM4ETSHRTP53KEAP1NFE2L2 |
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 |