Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 13/20 | 0.53 |
| ▸ | HIPK4 | Q8NE63 | 5/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 4/20 | 0.53 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.53 |
| ▸ | GSK3A | P49840 | 9/20 | 0.51 |
| ▸ | GSK3B | P49841 | 9/20 | 0.51 |
| ▸ | SRPK1 | Q96SB4 | 5/20 | 0.51 |
| ▸ | STK3 | Q13188 | 5/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.51 |
| ▸ | CDK2 | P24941 | 4/20 | 0.51 |
| ▸ | PIM3 | Q86V86 | 4/20 | 0.51 |
| ▸ | CLK2 | P49760 | 4/20 | 0.51 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.51 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.51 |
| ▸ | CSNK1G3 | Q9Y6M4 | 3/20 | 0.51 |
| ▸ | FLT3 | P36888 | 3/20 | 0.51 |
| ▸ | PRKD3 | O94806 | 3/20 | 0.51 |
| ▸ | PBK | Q96KB5 | 3/20 | 0.51 |
| ▸ | CDK1 | P06493 | 3/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12506975 | 0.88 | CLK4 (0.51) | CLK4HIPK4MAP4K4CSNK2A1GSK3A | |
| SCHEMBL29128702 | 0.81 | FFAR2 (0.44) | CDK5DYRK1A | |
| SCHEMBL29128691 | 0.81 | CLK4 (0.51) | CLK4HIPK4MAP4K4CSNK2A1GSK3A | |
| SCHEMBL29128740 | 0.80 | ALDH1A1 (0.63) | — | |
| SCHEMBL19520239 | 0.79 | CLK4 (0.52) | CLK4HIPK4MAP4K4CSNK2A1GSK3A | |
| SCHEMBL18425134 | 0.77 | ACVR1 (0.49) | CLK4HIPK4MAP4K4CSNK2A1GSK3A | |
| SCHEMBL10327562 | 0.77 | TAS2R14 (0.49) | CLK4HIPK4MAP4K4CSNK2A1GSK3A | |
| SCHEMBL2635287 | 0.76 | TAS2R14 (0.57) | CLK4HIPK4MAP4K4CSNK2A1GSK3A | |
| SCHEMBL13170010 | 0.74 | KDM4E (0.56) | CLK4HIPK4MAP4K4CSNK2A1GSK3A | |
| SCHEMBL5031654 | 0.74 | P2RX7 (0.53) | CLK4HIPK4MAP4K4CSNK2A1GSK3A |
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-117263873-A | 1, 4-benzodiazepine compounds and application thereof in preparation of antitumor drugs | 复旦大学 | 2023-12-22 | — | — | CN | disclosed |