Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 15/20 | 0.42 |
| ▸ | PRKG1 | Q13976 | 6/20 | 0.42 |
| ▸ | PRKACA | P17612 | 5/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 4/20 | 0.42 |
| ▸ | CDK2 | P24941 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.42 |
| ▸ | GSK3A | P49840 | 4/20 | 0.42 |
| ▸ | GSK3B | P49841 | 4/20 | 0.42 |
| ▸ | PRKX | P51817 | 4/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 4/20 | 0.42 |
| ▸ | PRKG2 | Q13237 | 4/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 4/20 | 0.42 |
| ▸ | CDC42BPA | Q5VT25 | 4/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.42 |
| ▸ | SGK2 | Q9HBY8 | 4/20 | 0.42 |
| ▸ | AKT1 | P31749 | 4/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.42 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 0.42 |
| ▸ | PRKCG | P05129 | 3/20 | 0.42 |
| ▸ | CDK1 | P06493 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18609942 | 0.91 | ROCK1 (0.41) | ROCK1PRKG1PRKACARPS6KB1CDK2 | |
| SCHEMBL18609489 | 0.86 | ROCK1 (0.38) | ROCK1PRKG1PRKACARPS6KB1CDK2 | |
| SCHEMBL18609917 | 0.83 | ROCK1 (0.44) | ROCK1PRKG1PRKACARPS6KB1CDK2 | |
| Hydrochloric Acid SCHEMBL18584811 | 0.83 | ROCK1 (0.43) | ROCK1PRKG1PRKACARPS6KB1CDK2 | |
| SCHEMBL18609640 | 0.83 | ROCK1 (0.36) | ROCK1PRKG1PRKACARPS6KB1CDK2 | |
| SCHEMBL18609602 | 0.80 | ROCK1 (0.42) | ROCK1PRKG1PRKACARPS6KB1CDK2 | |
| SCHEMBL18610124 | 0.79 | ROCK1 (0.37) | ROCK1PRKG1PRKACARPS6KB1CDK2 | |
| SCHEMBL16548321 | 0.78 | ROCK1 (0.44) | ROCK1PRKG1PRKACARPS6KB1CDK2 | |
| Hydrochloric Acid SCHEMBL16539994 | 0.77 | ROCK1 (0.44) | ROCK1PRKG1PRKACARPS6KB1CDK2 | |
| SCHEMBL18609943 | 0.77 | POLB (0.41) | POLBMAPT |
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-2017037616-A1 | ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS | LUPIN LIMITED (IN) | 2017-03-09 | — | — | WO | disclosed |