Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 6/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.42 |
| ▸ | PGR | P06401 | 2/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.40 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19567993 | 0.90 | KEAP1 (0.46) | PTGS1KEAP1NFE2L2NR3C1PSIP1 | |
| SCHEMBL20782061 | 0.83 | KEAP1 (0.44) | PTGS1KEAP1NFE2L2NR3C1L3MBTL1 | |
| SCHEMBL5186762 | 0.81 | PTGS1 (0.62) | PTGS1KEAP1NFE2L2NR3C1L3MBTL1 | |
| SCHEMBL13869170 | 0.80 | KEAP1 (0.65) | PTGS1KEAP1NFE2L2NR3C1L3MBTL1 | |
| SCHEMBL26386536 | 0.80 | KEAP1 (0.50) | KEAP1NFE2L2NR3C1L3MBTL1GLO1 | |
| SCHEMBL2642570 | 0.79 | KEAP1 (0.53) | KEAP1NFE2L2NR3C1PSIP1L3MBTL1 | |
| SCHEMBL8607408 | 0.79 | GABRA1 (0.55) | PTGS1KEAP1NFE2L2NR3C1L3MBTL1 | |
| SCHEMBL27275056 | 0.78 | KEAP1 (0.52) | PTGS1KEAP1NFE2L2NR3C1L3MBTL1 | |
| SCHEMBL19541406 | 0.77 | GABRA1 (0.41) | PSIP1L3MBTL1ARHTTALDH1A1 | |
| SCHEMBL21870755 | 0.76 | KEAP1 (0.50) | KEAP1NFE2L2NR3C1L3MBTL1GLO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3452464-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | HOFFMANN LA ROCHE (CH) | 2021-12-15 | — | — | EP | disclosed |
| WO-2017191098-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-09 | — | — | WO | disclosed |