Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK3 | O14649 | 5/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.35 |
| ▸ | ABCC2 | Q92887 | 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 | |
|---|---|---|---|---|
| SCHEMBL15385517 | 1.00 | KCNK3 (0.40) | KCNK3ROCK2ROCK1GPR88RPS6KB1 | |
| SCHEMBL433254 | 0.83 | MAPK1 (0.42) | ROCK2ROCK1GPR88AURKAAURKB | |
| SCHEMBL433255 | 0.83 | MAPK1 (0.42) | ROCK2ROCK1GPR88AURKAAURKB | |
| SCHEMBL10083742 | 0.81 | ROCK2 (0.41) | KCNK3ROCK2ROCK1GPR88RPS6KB1 | |
| SCHEMBL434527 | 0.81 | ROCK2 (0.41) | KCNK3ROCK2ROCK1GPR88RPS6KB1 | |
| SCHEMBL10084059 | 0.81 | HDAC4 (0.49) | KCNK3ROCK2ROCK1GPR88RPS6KB1 | |
| SCHEMBL435831 | 0.80 | HSD11B1 (0.50) | GPR88MAPK1NPC1ALDH1A1 | |
| SCHEMBL15385492 | 0.80 | HSD11B1 (0.50) | GPR88MAPK1NPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL459715 | 0.80 | HDAC4 (0.48) | ROCK2ROCK1GPR88NPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL15380914 | 0.80 | HDAC4 (0.48) | ROCK2ROCK1GPR88NPC1ALDH1A1 |
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-2012012410-A2 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-01-26 | — | — | WO | disclosed |