Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 9/20 | 0.61 |
| ▸ | TNIK | Q9UKE5 | 3/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.55 |
| ▸ | CIT | O14578 | 2/20 | 0.52 |
| ▸ | JAK1 | P23458 | 3/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | CCNK | O75909 | 1/20 | 0.42 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28267553 | 0.86 | ROCK2 (0.64) | ROCK2TNIKROCK1CITJAK1 | |
| SCHEMBL17912990 | 0.79 | ROCK2 (0.68) | ROCK2TNIKROCK1CIT | |
| SCHEMBL17913008 | 0.78 | ROCK2 (0.65) | ROCK2TNIKROCK1CIT | |
| SCHEMBL19643886 | 0.78 | ROCK2 (0.76) | ROCK2TNIKROCK1CIT | |
| SCHEMBL19643883 | 0.78 | ROCK2 (0.61) | ROCK2TNIKROCK1 | |
| SCHEMBL19643894 | 0.76 | ROCK2 (1.00) | ROCK2TNIKROCK1CIT | |
| SCHEMBL20985756 | 0.76 | ROCK2 (0.57) | ROCK2ROCK1 | |
| SCHEMBL22944014 | 0.74 | ROCK2 (0.70) | ROCK2TNIKROCK1CIT | |
| SCHEMBL29791519 | 0.74 | ROCK2 (0.70) | ROCK2TNIKROCK1CIT | |
| SCHEMBL857153 | 0.73 | NUDT1 (0.64) | ROCK2TNIKROCK1CITJAK3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109153663-A | Triazolones and Tetrazolones as ROCK Inhibitors | 百时美施贵宝公司 | 2019-01-04 | — | — | CN | disclosed |