Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 9/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.39 |
| ▸ | PRKG1 | Q13976 | 7/20 | 0.39 |
| ▸ | PRKACA | P17612 | 5/20 | 0.39 |
| ▸ | AKT1 | P31749 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | PRKACG | P22612 | 2/20 | 0.39 |
| ▸ | PRKACB | P22694 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.38 |
| ▸ | PRKCG | P05129 | 3/20 | 0.37 |
| ▸ | CDK1 | P06493 | 3/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | GSK3A | P49840 | 3/20 | 0.37 |
| ▸ | GSK3B | P49841 | 3/20 | 0.37 |
| ▸ | IRAK1 | P51617 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18609837 | 0.91 | ROCK2 (0.38) | ROCK2ROCK1PRKG1PRKACAAKT1 | |
| SCHEMBL18610134 | 0.91 | RXRA (0.39) | ROCK2ROCK1PRKG1PRKACAAKT1 | |
| SCHEMBL16548158 | 0.86 | CASR (0.41) | ROCK2ROCK1PRKG1PRKACAAKT1 | |
| SCHEMBL18609603 | 0.85 | MEN1 (0.38) | ROCK2ROCK1PRKG1PRKACAAKT1 | |
| Hydrochloric Acid SCHEMBL16539996 | 0.85 | CASR (0.41) | ROCK2ROCK1PRKG1PRKACAAKT1 | |
| SCHEMBL18609841 | 0.83 | ROCK1 (0.36) | ROCK2ROCK1PRKG1PRKACAAKT1 | |
| SCHEMBL16548235 | 0.82 | CASR (0.39) | ROCK2ROCK1PRKG1PRKACAAKT1 | |
| Hydrochloric Acid SCHEMBL17939882 | 0.81 | CASR (0.39) | ROCK2ROCK1PRKG1PRKACAAKT1 | |
| SCHEMBL18609602 | 0.80 | ROCK1 (0.42) | ROCK2ROCK1PRKG1PRKACAAKT1 | |
| SCHEMBL16541124 | 0.79 | POLB (0.41) | ROCK2ROCK1PRKG1PRKACAAKT1 |
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 |