Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.44 |
| ▸ | GSK3A | P49840 | 4/20 | 0.44 |
| ▸ | GSK3B | P49841 | 4/20 | 0.44 |
| ▸ | KDR | P35968 | 4/20 | 0.44 |
| ▸ | STK17A | Q9UEE5 | 3/20 | 0.44 |
| ▸ | CLK2 | P49760 | 3/20 | 0.44 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.44 |
| ▸ | PRKD2 | Q9BZL6 | 2/20 | 0.44 |
| ▸ | DYRK3 | O43781 | 2/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.44 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28666661 | 0.85 | PTGDR2 (0.53) | CLK4GSK3AGSK3BKDRSTK17A | |
| SCHEMBL28351290 | 0.78 | CLK4 (0.42) | KDM4ECLK4GSK3AGSK3BKDR | |
| SCHEMBL20595203 | 0.77 | CLK4 (0.43) | ALDH1A1CLK4GSK3AGSK3BKDR | |
| Trifluoroacetic Acid SCHEMBL30450110 | 0.77 | GSK3A (0.41) | CLK4GSK3AGSK3BKDRSTK17A | |
| Trifluoroacetic Acid SCHEMBL20595199 | 0.77 | GSK3A (0.41) | CLK4GSK3AGSK3BKDRSTK17A | |
| SCHEMBL22809487 | 0.77 | GAK (0.45) | CLK4GSK3AGSK3BKDRSTK17A | |
| SCHEMBL20832702 | 0.77 | KDM4E (0.60) | ALDH1A1KDM4EOGG1MAPT | |
| SCHEMBL30602669 | 0.77 | KDM4E (0.60) | ALDH1A1KDM4EOGG1MAPT | |
| SCHEMBL29241284 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4ECLK4GSK3AGSK3B | |
| SCHEMBL20595200 | 0.74 | GAK (0.40) | CLK4GSK3AGSK3BKDRSTK17A |
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-113788835-B | Triazole tetrazine compound containing morpholine and quinoline ring and preparation method and application thereof | 台州职业技术学院 | 2022-08-26 | — | — | CN | disclosed |