Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 7/20 | 0.47 |
| ▸ | CDK4 | P11802 | 6/20 | 0.47 |
| ▸ | TTK | P33981 | 2/20 | 0.42 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CDK7 | P50613 | 1/20 | 0.39 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28767324 | 1.00 | AURKA (0.47) | AURKACDK4TTKINSRCDK1 | |
| SCHEMBL20609704 | 0.92 | AURKA (0.41) | AURKACDK4TTKINSRCDK1 | |
| SCHEMBL27033337 | 0.89 | AURKA (0.41) | AURKACDK4TTKINSRCDK1 | |
| SCHEMBL4202568 | 0.86 | CDK4 (0.47) | AURKACDK4TTKINSRCDK1 | |
| SCHEMBL24764426 | 0.82 | C5AR1 (0.39) | AURKACDK4TTKINSRCDK1 | |
| SCHEMBL25209675 | 0.82 | GRM2 (0.41) | AURKACDK4TTKINSRCDK1 | |
| SCHEMBL25209677 | 0.82 | GRM2 (0.41) | AURKACDK4TTKINSRCDK1 | |
| SCHEMBL31095262 | 0.82 | GRM2 (0.41) | AURKACDK4TTKINSRCDK1 | |
| SCHEMBL31074722 | 0.75 | AURKA (0.38) | AURKACDK4TTKINSRCDK1 | |
| SCHEMBL31074704 | 0.75 | AURKA (0.40) | AURKACDK4TTKINSRCDK1 |
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-114634521-A | DNA-PK selective inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2022-06-17 | — | — | CN | disclosed |