Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 3/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15386631 | 1.00 | ROCK2 (0.41) | ROCK2ROCK1EPHX2GPR88AURKA | |
| SCHEMBL459306 | 0.82 | ROCK2 (0.40) | ROCK2ROCK1GPR88AURKAAURKB | |
| SCHEMBL10083028 | 0.82 | ROCK2 (0.40) | ROCK2ROCK1GPR88AURKAAURKB | |
| SCHEMBL461060 | 0.81 | ROCK2 (0.53) | ROCK2ROCK1TRPV1 | |
| SCHEMBL461061 | 0.81 | ROCK2 (0.53) | ROCK2ROCK1TRPV1 | |
| SCHEMBL435831 | 0.81 | HSD11B1 (0.50) | GPR88MAPK1MITFALDH1A1HTT | |
| SCHEMBL15385492 | 0.81 | HSD11B1 (0.50) | GPR88MAPK1MITFALDH1A1HTT | |
| SCHEMBL459835 | 0.80 | ROCK2 (0.39) | ROCK2ROCK1GPR88AURKAAURKB | |
| SCHEMBL459836 | 0.80 | ROCK2 (0.39) | ROCK2ROCK1GPR88AURKAAURKB | |
| SCHEMBL15385522 | 0.80 | TRPV1 (0.40) | ROCK2ROCK1GPR88AURKAAURKB |
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 2 patents. 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 |
| WO-2012012410-A2 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-01-26 | — | — | WO | disclosed |