Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | WNT1 | P04628 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL5322574 | 0.84 | MAPK14 (0.61) | ALDH1A1KDM4ETSHRMAPK14MAPT | |
| SCHEMBL5321309 | 0.83 | MAPK14 (0.61) | KDM4ETSHRMAPK14ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL7468024 | 0.83 | MAPK14 (0.60) | KDM4ETSHRMAPK14MAPTCD274 | |
| SCHEMBL7466368 | 0.83 | MAPK14 (0.61) | MAPK14CD274ADORA2AADORA1SCN9A | |
| Hydrochloric Acid SCHEMBL7466695 | 0.82 | MAPK14 (0.60) | KDM4ETSHRMAPK14ADORA2AADORA1 | |
| SCHEMBL5321287 | 0.82 | HTR7 (0.47) | ALDH1A1HTTTSHRMAPK14CD274 | |
| SCHEMBL7469135 | 0.81 | PTPN1 (0.41) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7475939 | 0.80 | FKBP1A (0.53) | ALDH1A1HTTKDM4ESMN1; SMN2MAPK14 | |
| SCHEMBL7480868 | 0.77 | NPY5R (0.41) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL5762375 | 0.77 | PBRM1 (0.44) | ALDH1A1HTTKDM4ESMN1; SMN2MAPT |
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 |