Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL435467 | 0.82 | ALDH1A1 (0.44) | P2RX7MAPK1ALDH1A1KDM4EMAPT | |
| SCHEMBL433030 | 0.82 | SLC6A3 (0.45) | P2RX7ROCK2ROCK1SLC6A3ALDH1A1 | |
| SCHEMBL434790 | 0.82 | OPRM1 (0.47) | P2RX7ALDH1A1KDM4EPOLBRAB9A | |
| SCHEMBL435352 | 0.82 | P2RX7 (0.43) | P2RX7SLC6A3ALDH1A1KDM4EMAPT | |
| SCHEMBL15380533 | 0.80 | ROCK2 (0.41) | ROCK2ROCK1MAPK1ALDH1A1 | |
| SCHEMBL432353 | 0.80 | ROCK2 (0.41) | ROCK2ROCK1MAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL433923 | 0.80 | HSD11B1 (0.49) | P2RX7MAPK1ALDH1A1KDM4EMAPT | |
| SCHEMBL435915 | 0.79 | P2RX7 (0.60) | P2RX7ALDH1A1KDM4EMAPTPOLB | |
| SCHEMBL433860 | 0.78 | P2RX7 (0.55) | P2RX7TP53 | |
| Hydrochloric Acid SCHEMBL433028 | 0.77 | P2RX7 (0.42) | P2RX7ROCK2ROCK1ALDH1A1KDM4E |
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 |