Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 20/20 | 0.79 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.71 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL21790249 | 1.00 | ROCK2 (0.79) | ROCK2ROCK1MYLK4 | |
| SCHEMBL21790292 | 0.91 | ROCK2 (0.76) | ROCK2ROCK1MYLK4 | |
| SCHEMBL21790286 | 0.91 | ROCK2 (0.76) | ROCK2ROCK1MYLK4 | |
| SCHEMBL21795453 | 0.89 | ROCK2 (0.80) | ROCK2ROCK1MYLK4 | |
| SCHEMBL21790244 | 0.89 | ROCK2 (0.80) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23633797 | 0.89 | ROCK2 (0.73) | ROCK2ROCK1MYLK4 | |
| SCHEMBL19932282 | 0.89 | ROCK2 (0.76) | ROCK2ROCK1MYLK4 | |
| SCHEMBL23866454 | 0.88 | ROCK2 (0.72) | ROCK2ROCK1 | |
| SCHEMBL19886640 | 0.87 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL28404271 | 0.87 | ROCK2 (0.73) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020047496-A1 | ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF | AERIE PHARMACEUTICALS, INC. (US) | 2020-03-05 | — | — | WO | disclosed |