Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 4/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.37 |
| ▸ | PRKCG | P05129 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | PRKACA | P17612 | 2/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 2/20 | 0.37 |
| ▸ | GSK3A | P49840 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.37 |
| ▸ | PRKX | P51817 | 2/20 | 0.37 |
| ▸ | NEK4 | P51957 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18584869 | 0.85 | CASR (0.43) | CASRPLK1ROCK1ROCK2CYP3A4 | |
| SCHEMBL18609939 | 0.83 | ACACA (0.40) | CASRPLK1ROCK1ROCK2PRKACA | |
| SCHEMBL18584823 | 0.78 | CYP11B1 (0.46) | CASRPLK1ROCK1ROCK2CYP3A4 | |
| SCHEMBL18609917 | 0.78 | ROCK1 (0.44) | CASRROCK1ROCK2CYP3A4CYP2C9 | |
| SCHEMBL18610316 | 0.78 | CYP11B1 (0.40) | CASRPLK1ROCK1ROCK2CYP3A4 | |
| SCHEMBL18609822 | 0.78 | KDM1A (0.38) | CASRROCK1ROCK2ACACAABCG2 | |
| SCHEMBL18609659 | 0.77 | ROCK1 (0.47) | CASRROCK1ROCK2MAP4K4PRKCG | |
| Hydrochloric Acid SCHEMBL18584811 | 0.77 | ROCK1 (0.43) | CASRROCK1ROCK2CYP3A4CYP2C9 | |
| SCHEMBL18609820 | 0.76 | FGFR2 (0.52) | CASRCYP3A4CDK2MAPK1CLK4 | |
| SCHEMBL18609805 | 0.76 | LTB4R (0.40) | CASRROCK1ROCK2CYP3A4CYP2C9 |
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 |