Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 11/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.41 |
| ▸ | PFKFB3 | Q16875 | 3/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 4/20 | 0.38 |
| ▸ | GSK3A | P49840 | 4/20 | 0.38 |
| ▸ | GSK3B | P49841 | 4/20 | 0.38 |
| ▸ | PRKX | P51817 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | PRKG1 | Q13976 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | PRKCG | P05129 | 3/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.38 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18609939 | 0.86 | ACACA (0.40) | ROCK1ROCK2PFKFB3KITPLK1 | |
| SCHEMBL18609940 | 0.85 | PLK1 (0.38) | ROCK1ROCK2PFKFB3KITPLK1 | |
| SCHEMBL18610317 | 0.85 | PFKFB3 (0.41) | ROCK1ROCK2PFKFB3KITPLK1 | |
| SCHEMBL18609951 | 0.83 | CASR (0.42) | ROCK1ROCK2PFKFB3PDE10APRKACA | |
| SCHEMBL18584823 | 0.81 | CYP11B1 (0.46) | ROCK1ROCK2PFKFB3PLK1PRKACA | |
| SCHEMBL18584869 | 0.81 | CASR (0.43) | ROCK1ROCK2PFKFB3PLK1PRKACA | |
| SCHEMBL17950564 | 0.81 | CASR (0.42) | ROCK1ROCK2PFKFB3CYP3A4CYP2C9 | |
| SCHEMBL16548307 | 0.80 | MEN1 (0.47) | ROCK1ROCK2PFKFB3KITPRKACA | |
| SCHEMBL18609656 | 0.80 | ROCK1 (0.42) | ROCK1ROCK2PFKFB3PRKACAGSK3A | |
| SCHEMBL17945927 | 0.79 | CASR (0.41) | ROCK1ROCK2PFKFB3CYP3A4CYP2C9 |
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 |