Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 19/20 | 0.60 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.56 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL173780 | 0.92 | ROCK2 (0.63) | ROCK2ROCK1 | |
| SCHEMBL22593380 | 0.90 | ROCK2 (0.73) | ROCK2ROCK1 | |
| SCHEMBL112454 | 0.87 | ROCK2 (0.75) | ROCK2ROCK1TNF | |
| SCHEMBL174353 | 0.87 | ROCK2 (0.75) | ROCK2ROCK1TNF | |
| SCHEMBL173486 | 0.87 | ROCK2 (0.75) | ROCK2ROCK1TNF | |
| SCHEMBL162544 | 0.86 | ROCK2 (0.67) | ROCK2ROCK1TNF | |
| SCHEMBL19750632 | 0.85 | ROCK2 (0.61) | ROCK2ROCK1 | |
| SCHEMBL29183948 | 0.84 | ROCK2 (0.65) | ROCK2ROCK1 | |
| SCHEMBL2776088 | 0.83 | ROCK2 (0.67) | ROCK2ROCK1 | |
| SCHEMBL30483630 | 0.83 | ROCK2 (0.67) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3354643-A1 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | Aerie Pharmaceuticals, Inc. (US) | 2018-08-01 | — | — | EP | disclosed |