Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 2/20 | 0.55 |
| ▸ | CDK2 | P24941 | 2/20 | 0.55 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.55 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 7/20 | 0.52 |
| ▸ | GSK3B | P49841 | 5/20 | 0.51 |
| ▸ | CLK1 | P49759 | 2/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.51 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.51 |
| ▸ | CLK2 | P49760 | 1/20 | 0.51 |
| ▸ | CLK3 | P49761 | 1/20 | 0.51 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.51 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.51 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.50 |
| ▸ | PIM1 | P11309 | 3/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL25185033 | 1.00 | CDC7 (0.55) | CDC7CDK2CCNE1DBF4TRPA1 | |
| SCHEMBL3490816 | 0.82 | CDC7 (0.55) | CDC7CDK2CCNE1DBF4TRPA1 | |
| SCHEMBL2191369 | 0.78 | CDK2 (0.71) | CDC7CDK2CCNE1DBF4TRPA1 | |
| SCHEMBL2191428 | 0.74 | GSK3B (0.53) | CDC7CDK2CCNE1DBF4TRPA1 | |
| SCHEMBL16573980 | 0.74 | GSK3B (0.71) | CDK2TRPA1GSK3BCLK1CDK5 | |
| SCHEMBL23558460 | 0.73 | CDC7 (0.45) | CDC7CDK2CCNE1DBF4TRPA1 | |
| SCHEMBL13963952 | 0.73 | NPC1 (0.47) | PIM1LRRK2 | |
| SCHEMBL25195476 | 0.73 | TLR8 (0.46) | CDC7CDK2CCNE1DBF4GSK3B | |
| SCHEMBL13332229 | 0.73 | S1PR1 (0.60) | CDK2TRPA1GSK3BCLK1CDK5 | |
| SCHEMBL6984735 | 0.72 | SMN1; SMN2 (0.73) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023078337-A1 | CDK8/19 DUAL INHIBITORS AND METHODS OF USE | INSILICO MEDICINE IP LIMITED (CN) | 2023-05-11 | — | — | WO | disclosed |