Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | RET | P07949 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | CDK7 | P50613 | 2/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | GSK3A | P49840 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14770635 | 0.85 | DYRK1B (0.38) | CDK5ABL1RETCDK7PRKAA1 | |
| SCHEMBL12309248 | 0.78 | LMNA (0.40) | CDK5ABL1RETKDRCDK7 | |
| SCHEMBL14770631 | 0.77 | GSK3A (0.36) | CDK5EGFRABL1RETCDK7 | |
| SCHEMBL14770525 | 0.77 | APP (0.42) | — | |
| SCHEMBL855351 | 0.76 | CYP1A2 (0.43) | CDK5ABL1RETKDRCDK7 | |
| SCHEMBL13620301 | 0.75 | ALPL (0.37) | CDK5EGFRABL1RETKDR | |
| SCHEMBL14770524 | 0.74 | APP (0.40) | — | |
| SCHEMBL13607851 | 0.73 | ALDH1A1 (0.47) | CDK5ABL1RETKDRCDK7 | |
| SCHEMBL14770725 | 0.71 | MEN1 (0.39) | CDK5ABL1RETCDK7PRKAA1 | |
| SCHEMBL13607786 | 0.70 | HPGD (0.44) | CDK5ABL1RETKDRCDK7 |
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-116768889-A | Novel CDK9 kinase inhibitor and preparation method and application thereof | 厦门大学 | 2023-09-19 | — | — | CN | disclosed |