Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 8/20 | 0.44 |
| ▸ | CLK1 | P49759 | 4/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 4/20 | 0.42 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.42 |
| ▸ | CLK2 | P49760 | 2/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | INSR | P06213 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | FES | P07332 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15241762 | 0.80 | BRD4 (0.49) | DYRK1ACLK1DYRK1BDYRK2CLK2 | |
| SCHEMBL29950990 | 0.73 | KMT2A (0.51) | DYRK1ACLK1DYRK1BDYRK2CLK2 | |
| SCHEMBL1932443 | 0.64 | SLC6A4 (0.45) | CDK1IGF1RFLT1CDK2FLT4 | |
| SCHEMBL6109661 | 0.63 | — | — | |
| SCHEMBL8321781 | 0.63 | AXL (0.52) | DYRK1ACLK1DYRK1BDYRK2AXL | |
| SCHEMBL12466822 | 0.63 | IDO1 (0.46) | DYRK1ADYRK1BCLK2CLK4CDK8 | |
| SCHEMBL13332909 | 0.62 | BRD4 (0.43) | DYRK1ACLK1DYRK1BDYRK2CLK2 | |
| SCHEMBL25194118 | 0.61 | DYRK1A (0.43) | DYRK1ACLK1DYRK1BDYRK2CLK2 | |
| SCHEMBL1045946 | 0.61 | BRD4 (0.54) | DYRK1ACLK1DYRK1BDYRK2CLK2 | |
| SCHEMBL1880862 | 0.61 | BRD4 (0.47) | DYRK1ACLK1DYRK1BDYRK2CLK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111217654-A | Palladium-catalyzed meta-arylation reaction and application thereof in synthesis of vemurafenib analogue | 陕西科技大学 | 2020-06-02 | — | — | CN | disclosed |