Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 17/20 | 0.74 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.74 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.74 |
| ▸ | PRKX | P51817 | 1/20 | 0.74 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.74 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.74 |
| ▸ | PRKACA | P17612 | 1/20 | 0.55 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.55 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.55 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.55 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.55 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.55 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.55 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.55 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.55 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4965898 | 0.92 | ROCK1 (0.59) | ROCK1ROCK2PRKCDPRKXPRKCE | |
| SCHEMBL4965892 | 0.92 | ROCK1 (0.59) | ROCK1ROCK2PRKCDPRKXPRKCE | |
| SCHEMBL4009239 | 0.86 | ROCK1 (1.00) | ROCK1ROCK2PRKCDPRKXPRKCE | |
| SCHEMBL951238 | 0.86 | ROCK1 (1.00) | ROCK1ROCK2PRKCDPRKXPRKCE | |
| SCHEMBL4005826 | 0.86 | ROCK1 (1.00) | ROCK1ROCK2PRKCDPRKXPRKCE | |
| Hydrochloric Acid SCHEMBL952513 | 0.85 | ROCK1 (0.98) | ROCK1ROCK2PRKCDPRKXPRKCE | |
| SCHEMBL953733 | 0.80 | ROCK1 (1.00) | ROCK1ROCK2PRKCDPRKXPRKCE | |
| SCHEMBL3223785 | 0.80 | ROCK1 (1.00) | ROCK1ROCK2PRKCDPRKXPRKCE | |
| SCHEMBL4007481 | 0.80 | ROCK1 (1.00) | ROCK1ROCK2PRKCDPRKXPRKCE | |
| SCHEMBL4007383 | 0.79 | ROCK1 (0.53) | ROCK1ROCK2PRKCDPRKXPRKCE |
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-1963304-A1 | ISOQUINOLINE DERIVATIVES | N.V. Organon (NL) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007065916-A1 | ISOQUINOLINE DERIVATIVES | N.V. ORGANON (NL) | 2007-06-14 | — | — | WO | disclosed |