Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 5/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 2/20 | 0.32 |
| ▸ | PLK4 | O00444 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23909570 | 0.82 | HTT (0.42) | HTTSLC40A1ALDH1A1SLC22A12CA1 | |
| SCHEMBL2001999 | 0.78 | MAPT (0.41) | SLC40A1ALDH1A1ROCK2ROCK1PRKACA | |
| SCHEMBL31537 | 0.76 | ROCK2 (0.47) | SLC40A1ROCK2ROCK1PRKACAPLK4 | |
| SCHEMBL2006560 | 0.76 | ROCK2 (0.34) | ALDH1A1CA1CA2ROCK2ROCK1 | |
| SCHEMBL29469895 | 0.76 | ROCK2 (0.50) | ROCK2ROCK1PRKACAPLK4AURKA | |
| SCHEMBL2000333 | 0.76 | ROCK2 (0.50) | ROCK2ROCK1PRKACAPLK4AURKA | |
| Hydrochloric Acid SCHEMBL7823569 | 0.75 | ROCK2 (0.33) | HTTALDH1A1CA1CA2ROCK2 | |
| Bromide SCHEMBL28709695 | 0.75 | ROCK2 (0.46) | SLC40A1ROCK2ROCK1PRKACAPLK4 | |
| Iodide SCHEMBL28700199 | 0.75 | ROCK2 (0.46) | SLC40A1ROCK2ROCK1PRKACAPLK4 | |
| Hydrochloric Acid SCHEMBL999448 | 0.75 | ROCK2 (0.47) | SLC40A1ROCK2ROCK1PRKACAPLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1074545-A1 | ISOQUINOLINESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | Hidaka, Hiroyoshi (JP) | 2001-02-07 | — | — | EP | disclosed |