Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 8/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4750445 | 1.00 | PIM1 (0.45) | PIM1CSNK1A1CDK5ROCK1DYRK1A | |
| SCHEMBL3575159 | 0.82 | DYRK1A (0.45) | PIM1CSNK1A1CDK5ROCK1DYRK1A | |
| SCHEMBL3575157 | 0.82 | DYRK1A (0.45) | PIM1CSNK1A1CDK5ROCK1DYRK1A | |
| SCHEMBL25412348 | 0.67 | HRH3 (0.44) | PIM1CSNK1A1CDK5ROCK1DYRK1A | |
| SCHEMBL1333810 | 0.66 | CLK4 (1.00) | PIM1CSNK1A1CDK5ROCK1DYRK1A | |
| SCHEMBL4789141 | 0.66 | CDK4 (0.47) | CYP2D6CYP2C19 | |
| SCHEMBL4789140 | 0.66 | CDK4 (0.47) | CYP2D6CYP2C19 | |
| SCHEMBL3572943 | 0.63 | PARP1 (0.44) | PARP1CYP2D6CYP2C19HRH3SMN1; SMN2 | |
| SCHEMBL3572941 | 0.63 | PARP1 (0.44) | PARP1CYP2D6CYP2C19HRH3SMN1; SMN2 | |
| SCHEMBL13343954 | 0.63 | PARP1 (0.44) | PARP1CYP2D6CYP2C19HRH3SMN1; SMN2 |
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-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |