Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5780088 | 0.78 | MEN1 (0.44) | — | |
| SCHEMBL2327414 | 0.72 | CYP1A2 (0.52) | TRPA1PIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL29907208 | 0.72 | CYP1A2 (0.52) | TRPA1PIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL2490656 | 0.71 | CYP1A2 (0.50) | CYP1A2 | |
| SCHEMBL585448 | 0.70 | TRPA1 (0.40) | TRPA1PIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL1662187 | 0.69 | CYP2A6 (0.52) | TRPA1PIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL29385577 | 0.69 | CYP2A6 (0.52) | TRPA1PIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL17132727 | 0.67 | TRPA1 (0.49) | TRPA1PIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL7913165 | 0.67 | CYP2A6 (0.44) | TRPA1PIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL1948839 | 0.67 | CDK5 (0.53) | TRPA1PIM1CSNK1A1CDK5ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2323482-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010017048-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |