Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 1/20 | 0.48 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 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 | |
|---|---|---|---|---|
| SCHEMBL10083317 | 1.00 | ITGA4 (0.48) | ITGA4ITGB7ROCK2ROCK1RAB9A | |
| Hydrochloric Acid SCHEMBL434712 | 0.99 | ITGA4 (0.47) | ITGA4ITGB7ROCK2ROCK1RAB9A | |
| Hydrochloric Acid SCHEMBL434711 | 0.99 | ITGA4 (0.47) | ITGA4ITGB7ROCK2ROCK1RAB9A | |
| SCHEMBL433726 | 0.88 | ITGA4 (0.47) | ITGA4ITGB7RPS6KB1AKR1C3AKR1C2 | |
| SCHEMBL433725 | 0.88 | ITGA4 (0.47) | ITGA4ITGB7RPS6KB1AKR1C3AKR1C2 | |
| SCHEMBL435949 | 0.87 | ITGA4 (0.44) | ITGA4ITGB7AKR1C3AKR1C2FAAH | |
| SCHEMBL434432 | 0.87 | ITGA4 (0.44) | ITGA4ITGB7AKR1C3AKR1C2FAAH | |
| SCHEMBL15385502 | 0.87 | ITGA4 (0.44) | ITGA4ITGB7CNR2 | |
| SCHEMBL434349 | 0.87 | ITGA4 (0.44) | ITGA4ITGB7CNR2 | |
| SCHEMBL434182 | 0.87 | ITGA4 (0.47) | ITGA4ITGB7RPS6KB1AKR1C3AKR1C2 |
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 |