Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10066502 | 0.84 | ROCK2 (0.61) | F10ROCK2PPARAENPP2ROCK1 | |
| SCHEMBL10066964 | 0.82 | F10 (0.52) | F10ROCK2ENPP2ROCK1BMPR2 | |
| SCHEMBL10022593 | 0.77 | ROCK2 (0.80) | ROCK2 | |
| SCHEMBL4897260 | 0.72 | ESRRG (0.54) | ROCK2PPARAROCK1 | |
| SCHEMBL12788248 | 0.72 | PPARA (0.69) | PPARAMMP13 | |
| SCHEMBL13068789 | 0.72 | MMP13 (0.59) | F10ROCK2ROCK1MMP13 | |
| SCHEMBL13947481 | 0.71 | MMP13 (0.60) | F10ROCK2ROCK1KLKB1MMP13 | |
| SCHEMBL12697566 | 0.69 | PPARA (0.47) | PPARAMMP13P2RX7 | |
| SCHEMBL4896887 | 0.69 | HDAC3 (0.56) | ROCK2PPARAROCK1GSK3BDYRK3 | |
| SCHEMBL10022672 | 0.69 | HCAR2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012006203-A1 | N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |