Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK2 | Q9HBH9 | 8/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CLK3 | P49761 | 1/20 | 0.36 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK4 | Q9NR20 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17683243 | 0.83 | MKNK2 (0.53) | MKNK2MKNK1DYRK1AGSK3BMAOA | |
| SCHEMBL17553691 | 0.79 | MKNK2 (0.41) | MKNK2MKNK1DYRK1AGSK3BDYRK1B | |
| SCHEMBL30337219 | 0.76 | MKNK1 (0.53) | MKNK2MKNK1GSK3BCLK4MAP3K14 | |
| SCHEMBL28987649 | 0.76 | MKNK1 (0.53) | MKNK2MKNK1GSK3BCLK4MAP3K14 | |
| SCHEMBL25339277 | 0.72 | HSP90AA1 (0.55) | DYRK1AGSK3BCLK1CLK2CLK4 | |
| SCHEMBL31119002 | 0.72 | HSP90AA1 (0.55) | DYRK1AGSK3BCLK1CLK2CLK4 | |
| SCHEMBL28243654 | 0.72 | MKNK2 (0.54) | MKNK2MKNK1 | |
| SCHEMBL444455 | 0.71 | CYP1A1 (0.52) | — | |
| SCHEMBL30450157 | 0.71 | CYP1A1 (0.52) | — | |
| SCHEMBL28244309 | 0.70 | DYRK1A (0.73) | MKNK2MKNK1DYRK1AGSK3BPDE4B |
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-108530428-A | Substituted pyrimidine derivatives and preparation method thereof and medicinal usage | 四川海思科制药有限公司 | 2018-09-14 | — | — | CN | disclosed |