Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 8/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 5/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 5/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 5/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22563042 | 0.86 | PYGL (0.44) | PYGLMAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL22563088 | 0.84 | MAPK14 (0.44) | MAPK14MAPK13MAPK12MAPK11AURKA | |
| SCHEMBL22562967 | 0.83 | NUDT1 (0.37) | HDAC1GAAHTTCNR2CSF1R | |
| SCHEMBL22562946 | 0.79 | MAP2K2 (0.39) | MAPK14MAPK13MAPK12MAPK11HDAC1 | |
| SCHEMBL22563054 | 0.79 | MAPK14 (0.40) | MAPK14MAPK13MAPK12MAPK11HDAC1 | |
| SCHEMBL24934060 | 0.78 | KEAP1 (0.39) | PYGLHDAC1ALDH1A1GAAHTT | |
| SCHEMBL22562957 | 0.75 | MAP2K1 (0.41) | ALDH1A1GAA | |
| SCHEMBL29973055 | 0.73 | ALDH1A1 (0.47) | MAPK14MAPK13MAPK12MAPK11AURKA | |
| SCHEMBL23609452 | 0.73 | ALDH1A1 (0.47) | MAPK14MAPK13MAPK12MAPK11AURKA | |
| SCHEMBL22562974 | 0.73 | TAS2R14 (0.42) | MAPK14MAPK13MAPK12MAPK11AURKA |
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 |