Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 20/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.53 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9883142 | 0.87 | ROCK2 (0.66) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23398166 | 0.87 | ROCK2 (0.47) | ROCK2ROCK1MYLK4 | |
| Hydrochloric Acid SCHEMBL112565 | 0.86 | ROCK2 (0.65) | ROCK2ROCK1MYLK4 | |
| SCHEMBL113963 | 0.83 | ROCK2 (0.53) | ROCK2ROCK1MYLK4 | |
| SCHEMBL28549445 | 0.82 | ROCK2 (0.76) | ROCK2ROCK1MYLK4 | |
| SCHEMBL28549443 | 0.82 | ROCK2 (0.76) | ROCK2ROCK1MYLK4 | |
| SCHEMBL2778216 | 0.79 | ROCK2 (0.47) | ROCK2ROCK1MYLK4 | |
| SCHEMBL9883169 | 0.78 | ROCK2 (0.50) | ROCK2ROCK1MYLK4 | |
| SCHEMBL114567 | 0.75 | ROCK2 (0.62) | ROCK2ROCK1MYLK4 | |
| SCHEMBL111950 | 0.75 | ROCK2 (0.56) | ROCK2ROCK1 |
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-2424842-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | Aerie Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126626-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | AERIE PHARMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |