Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 13/20 | 0.65 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.65 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.65 |
| ▸ | PRKACA | P17612 | 1/20 | 0.65 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.65 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.65 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.65 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.65 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.65 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.65 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.65 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.65 |
| ▸ | PRKX | P51817 | 1/20 | 0.57 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.57 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.57 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4075896 | 1.00 | ROCK1 (0.65) | ROCK1ROCK2PRKCDPRKACAPRKG1 | |
| SCHEMBL1205053 | 0.85 | ROCK1 (0.70) | ROCK1ROCK2PRKCDPRKACAPRKG1 | |
| SCHEMBL1205052 | 0.85 | ROCK1 (0.70) | ROCK1ROCK2PRKCDPRKACAPRKG1 | |
| SCHEMBL1205107 | 0.85 | ROCK1 (0.57) | ROCK1ROCK2PRKCDPRKACAPRKG1 | |
| SCHEMBL1205103 | 0.85 | ROCK1 (0.57) | ROCK1ROCK2PRKCDPRKACAPRKG1 | |
| SCHEMBL2340474 | 0.81 | ROCK1 (0.80) | ROCK1ROCK2PRKCDPRKACAPRKG1 | |
| SCHEMBL2336851 | 0.81 | ROCK1 (0.65) | ROCK1ROCK2PRKCDPRKACAPRKG1 | |
| SCHEMBL2336847 | 0.81 | ROCK1 (0.65) | ROCK1ROCK2PRKCDPRKACAPRKG1 | |
| SCHEMBL2340471 | 0.81 | ROCK1 (0.80) | ROCK1ROCK2PRKCDPRKACAPRKG1 | |
| SCHEMBL12879250 | 0.81 | ROCK1 (0.69) | ROCK1ROCK2PRKCDPRKACAPRKG1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054389-A1 | 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES AS ROCK-1 INHIBITORS | N.V. Organon (NL) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008020081-A1 | 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES AS ROCK-1 INHIBITORS | N.V. ORGANON (NL) | 2008-02-21 | — | — | WO | disclosed |