Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 5/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 7/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 4/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18609851 | 0.85 | ROCK1 (0.42) | ROCK1ROCK2PDPK1MAPK1AURKA | |
| Hydrochloric Acid SCHEMBL18584862 | 0.85 | ROCK1 (0.41) | ROCK1ROCK2PDPK1MAPK1AURKA | |
| SCHEMBL18610025 | 0.79 | CASR (0.50) | ROCK1ROCK2MAPK1RPS6KB1CDK2 | |
| SCHEMBL18610020 | 0.78 | ROCK1 (0.49) | ROCK1ROCK2MAPK1RPS6KB1AURKB | |
| SCHEMBL18609659 | 0.78 | ROCK1 (0.47) | ROCK1ROCK2MAPK1RPS6KB1AURKB | |
| SCHEMBL18609855 | 0.78 | PFKFB3 (0.40) | ROCK1ROCK2MAPK1RPS6KB1CDK2 | |
| Hydrochloric Acid SCHEMBL18584458 | 0.78 | ROCK1 (0.49) | ROCK1ROCK2MAPK1RPS6KB1AURKB | |
| SCHEMBL18609602 | 0.77 | ROCK1 (0.42) | ROCK1ROCK2MAPK1RPS6KB1CDK2 | |
| SCHEMBL18610316 | 0.77 | CYP11B1 (0.40) | ROCK1ROCK2ADORA2A | |
| SCHEMBL18609940 | 0.76 | PLK1 (0.38) | ROCK1ROCK2MAPK1RPS6KB1CDK2 |
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 |