Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.36 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | FADS1 | O60427 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22562988 | 0.79 | MAPK14 (0.47) | HDAC1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL22563179 | 0.79 | HDAC1 (0.44) | HDAC1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL22563163 | 0.75 | HDAC1 (0.40) | HDAC1 | |
| SCHEMBL22563042 | 0.75 | PYGL (0.44) | HDAC1TDO2MAPK14MAPK13MAPK12 | |
| SCHEMBL22563010 | 0.72 | HDAC6 (0.37) | HDAC1RAPGEF4CHRNA7JAK1JAK3 | |
| SCHEMBL22563002 | 0.71 | MAP2K2 (0.41) | HDAC1IDO1MAPK14MAPK13MAPK12 | |
| SCHEMBL22563186 | 0.71 | JAK1 (0.37) | HDAC1CHRNA7JAK1JAK3JAK2 | |
| SCHEMBL22562958 | 0.71 | JAK1 (0.37) | HDAC1JAK1JAK3JAK2TYK2 | |
| SCHEMBL1033031 | 0.70 | PTGS2 (0.50) | PTGS2ABCB11PTGS1PPARGNR1I3 | |
| Acetic Acid SCHEMBL28632464 | 0.69 | PTGS2 (0.56) | PTGS2ABCB11PTGS1PPARGNR1I3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3725777-A1 | BENZO- AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS | Rottapharm Biotech S.r.l. (IT) | 2020-10-21 | — | — | EP | disclosed |