Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PFKFB3 | Q16875 | 4/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CASR | P41180 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.35 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18609822 | 0.85 | KDM1A (0.38) | PFKFB3HSD11B1RIPK1FAAHCASR | |
| SCHEMBL18609846 | 0.84 | PFKFB3 (0.42) | PFKFB3RIPK1FAAHCASRSLC6A2 | |
| SCHEMBL18610025 | 0.79 | CASR (0.50) | RPS6KB1CASRROCK2ROCK1PRKG1 | |
| SCHEMBL18609602 | 0.78 | ROCK1 (0.42) | PFKFB3RPS6KB1ROCK2ROCK1PRKG1 | |
| SCHEMBL18609660 | 0.78 | ROCK1 (0.41) | RPS6KB1ROCK2ROCK1CDK2MAPK1 | |
| SCHEMBL18610316 | 0.78 | CYP11B1 (0.40) | PFKFB3CASRKDM1AROCK2ROCK1 | |
| SCHEMBL18609940 | 0.76 | PLK1 (0.38) | PFKFB3RPS6KB1CASRROCK2ROCK1 | |
| SCHEMBL18609654 | 0.76 | PDK2 (0.38) | PFKFB3CASRSLC6A2SLC6A4ROCK2 | |
| SCHEMBL18610136 | 0.76 | ROCK1 (0.40) | PFKFB3RPS6KB1ROCK2ROCK1PRKG1 | |
| SCHEMBL18610134 | 0.74 | RXRA (0.39) | PFKFB3RPS6KB1CASRROCK2ROCK1 |
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 |