Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.60 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.60 |
| ▸ | GSK3B | P49841 | 2/20 | 0.53 |
| ▸ | KDM5A | P29375 | 1/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | FLT1 | P17948 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | PRKCA | P17252 | 1/20 | 0.45 |
| ▸ | GRK2 | P25098 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4853151 | 0.96 | ROCK2 (0.64) | ROCK2ROCK1GSK3BKDM5AKDM4C | |
| SCHEMBL13986982 | 0.88 | ROCK1 (0.52) | ROCK2ROCK1GSK3BKDM5AKDM4C | |
| Trifluoroacetic Acid SCHEMBL5656429 | 0.87 | GSK3B (0.64) | ROCK2ROCK1GSK3BMAPK14MAPT | |
| Trifluoroacetic Acid SCHEMBL5657745 | 0.86 | GSK3B (0.55) | ROCK2ROCK1GSK3BFLT1KDR | |
| SCHEMBL4853063 | 0.86 | GSK3B (0.59) | ROCK2ROCK1GSK3BFLT1KDR | |
| Trifluoroacetic Acid SCHEMBL5657169 | 0.83 | GSK3B (0.61) | ROCK2ROCK1GSK3BMAPK14PPARG | |
| Trifluoroacetic Acid SCHEMBL5656445 | 0.83 | GSK3B (0.55) | ROCK2ROCK1GSK3BMAPTPRKCA | |
| Trifluoroacetic Acid SCHEMBL5657921 | 0.83 | GSK3B (0.62) | ROCK2ROCK1GSK3BMAPTPRKCA | |
| Trifluoroacetic Acid SCHEMBL5659768 | 0.82 | GSK3B (0.64) | ROCK2ROCK1GSK3BMAPK14PRKCA | |
| SCHEMBL4848924 | 0.82 | GSK3B (0.59) | ROCK2ROCK1GSK3BFLT1KDR |
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 |