Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | MST1R | Q04912 | 2/20 | 0.41 |
| ▸ | LTK | P29376 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 4/20 | 0.39 |
| ▸ | CLK1 | P49759 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | CLK3 | P49761 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 3/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL18022667 | 0.81 | MEN1 (0.46) | CDK5DYRK1ACLK4PIM1CSNK1A1 | |
| SCHEMBL18022663 | 0.81 | CDK5 (0.44) | CDK5DYRK1ACLK4PIM1CSNK1A1 | |
| SCHEMBL1759917 | 0.81 | NOTUM (0.56) | CES1NOTUMACHEHTR2AHTR2C | |
| SCHEMBL31425487 | 0.81 | CDK5 (0.44) | CDK5DYRK1ACLK4PIM1CSNK1A1 | |
| SCHEMBL31158620 | 0.81 | CLK4 (0.44) | CDK5DYRK1ACLK4PIM1CSNK1A1 | |
| SCHEMBL23089204 | 0.81 | ROCK1 (0.44) | CDK5DYRK1ACLK4PIM1CSNK1A1 | |
| SCHEMBL28931078 | 0.78 | HTR2A (0.42) | CDK5DYRK1ACLK4PIM1CSNK1A1 | |
| SCHEMBL2379452 | 0.76 | CDK5 (0.61) | CDK5DYRK1ACLK4PIM1CSNK1A1 | |
| SCHEMBL31303452 | 0.76 | CDK5 (0.61) | CDK5DYRK1ACLK4PIM1CSNK1A1 | |
| SCHEMBL18022702 | 0.75 | CDK5 (0.40) | CDK5DYRK1ACLK4PIM1CSNK1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4218464-A | 4- and 5-Substituted 2,3-dihydro-1H-isoindoles, pharmaceutical compositions and method of inhibiting phenylethanolamine N-methyltransferase | SMITHKLINE CORPORATION (US) | 1980-08-19 | — | — | US | disclosed |