Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 13/20 | 0.61 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.49 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 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 | |
|---|---|---|---|---|
| SCHEMBL23453180 | 0.84 | ROCK2 (0.70) | ROCK2ROCK1 | |
| SCHEMBL9883217 | 0.82 | ROCK2 (0.90) | ROCK2ROCK1 | |
| SCHEMBL19860093 | 0.81 | ROCK2 (0.61) | ROCK2ROCK1NOTUMPRMT3IMPDH2 | |
| SCHEMBL2774562 | 0.81 | ROCK2 (0.74) | ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL113084 | 0.81 | ROCK2 (0.88) | ROCK2ROCK1 | |
| SCHEMBL16634909 | 0.81 | PRMT3 (0.61) | NOTUMPRMT3IMPDH2 | |
| SCHEMBL23736265 | 0.81 | NOTUM (0.50) | ROCK2ROCK1NOTUMPRMT3IMPDH2 | |
| SCHEMBL21679904 | 0.79 | ROCK2 (0.71) | ROCK2ROCK1NOTUMIMPDH2 | |
| SCHEMBL19860065 | 0.79 | ROCK1 (0.61) | ROCK2ROCK1NOTUMPRMT3IMPDH2 | |
| SCHEMBL24735962 | 0.78 | IMPDH2 (0.69) | ROCK2ROCK1NOTUMPRMT3IMPDH2 |
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 |