Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.30 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22355676 | 0.90 | ROCK2 (0.43) | ROCK2 | |
| SCHEMBL22355668 | 0.89 | ROCK2 (0.42) | ROCK2GAA | |
| SCHEMBL22355688 | 0.85 | ROCK2 (0.42) | ROCK2ITGB3ITGA2B | |
| SCHEMBL22355704 | 0.79 | ROCK2 (0.36) | ROCK2 | |
| SCHEMBL22355710 | 0.78 | ROCK2 (0.34) | ROCK2 | |
| SCHEMBL22355678 | 0.78 | ROCK2 (0.37) | ROCK2 | |
| SCHEMBL22355725 | 0.78 | ROCK2 (0.40) | ROCK2ITGB3ITGA2B | |
| SCHEMBL22355685 | 0.75 | ROCK2 (0.50) | ROCK2 | |
| SCHEMBL22355724 | 0.74 | ROCK2 (0.47) | ROCK2 | |
| SCHEMBL22355757 | 0.72 | ITGB3 (0.41) | ITGB3ITGA2B |
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-3481817-B1 | SPIROLACTAMS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-08-19 | — | — | EP | disclosed |