Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 6/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 6/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL15385500 | 1.00 | ITGA4 (0.44) | ITGA4ITGB7ROCK2ROCK1PIN1 | |
| Hydrochloric Acid SCHEMBL432371 | 0.99 | ITGA4 (0.44) | ITGA4ITGB7ROCK2ROCK1PIN1 | |
| Hydrochloric Acid SCHEMBL432370 | 0.99 | ITGA4 (0.44) | ITGA4ITGB7ROCK2ROCK1PIN1 | |
| SCHEMBL15385492 | 0.89 | HSD11B1 (0.50) | MEN1KMT2AALDH1A1HSD11B1GPR88 | |
| SCHEMBL435831 | 0.89 | HSD11B1 (0.50) | MEN1KMT2AALDH1A1HSD11B1GPR88 | |
| SCHEMBL433057 | 0.88 | ROCK2 (0.48) | ITGA4ITGB7ROCK2ROCK1KMT2A | |
| SCHEMBL433056 | 0.88 | ROCK2 (0.48) | ITGA4ITGB7ROCK2ROCK1KMT2A | |
| Hydrochloric Acid SCHEMBL434246 | 0.88 | HSD11B1 (0.49) | MEN1KMT2AALDH1A1OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL15380695 | 0.88 | HSD11B1 (0.49) | MEN1KMT2AALDH1A1OPRM1OPRD1 | |
| SCHEMBL10083337 | 0.84 | MEN1 (0.52) | MEN1KMT2AALDH1A1LMNAHSD11B1 |
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 |