Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.61 |
| ▸ | HSD17B13 | Q7Z5P4 | 2/20 | 0.49 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL4853282 | 0.96 | GSK3B (0.65) | GSK3BHSD17B13MAPK13MAPK12MAPK11 | |
| Trifluoroacetic Acid SCHEMBL5660802 | 0.91 | GSK3B (0.61) | GSK3BMAPK13MAPK12MAPK11MAPK14 | |
| Trifluoroacetic Acid SCHEMBL5658947 | 0.86 | GSK3B (0.61) | GSK3BMAPK13MAPK12MAPK11MAPK14 | |
| Trifluoroacetic Acid SCHEMBL5658531 | 0.86 | GSK3B (0.61) | GSK3BMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL5229513 | 0.84 | GSK3B (0.66) | GSK3BCYP2C9ROCK2ROCK1POLB | |
| Trifluoroacetic Acid SCHEMBL5658515 | 0.83 | ROCK2 (0.60) | GSK3BMAPK14CYP2C9ROCK2ROCK1 | |
| Trifluoroacetic Acid SCHEMBL5657401 | 0.83 | GSK3B (0.59) | GSK3BMAPK13MAPK12MAPK11MAPK14 | |
| Trifluoroacetic Acid SCHEMBL5659784 | 0.83 | GSK3B (0.89) | GSK3BMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL14348309 | 0.82 | GSK3B (0.66) | GSK3BMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL4854813 | 0.82 | GSK3B (0.66) | GSK3BMAPK13MAPK12MAPK11MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| US-7309701-B2 | Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-12-18 | — | — | US | disclosed |