Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 10/20 | 0.51 |
| ▸ | CDK2 | P24941 | 8/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.51 |
| ▸ | JAK3 | P52333 | 5/20 | 0.51 |
| ▸ | EGFR | P00533 | 4/20 | 0.51 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.51 |
| ▸ | AURKA | O14965 | 3/20 | 0.51 |
| ▸ | DCLK1 | O15075 | 3/20 | 0.51 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.51 |
| ▸ | JAK2 | O60674 | 2/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.51 |
| ▸ | PRKCG | P05129 | 2/20 | 0.51 |
| ▸ | LCK | P06239 | 2/20 | 0.51 |
| ▸ | FYN | P06241 | 2/20 | 0.51 |
| ▸ | LYN | P07948 | 2/20 | 0.51 |
| ▸ | RET | P07949 | 2/20 | 0.51 |
| ▸ | IGF1R | P08069 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28059048 | 0.83 | CDK1 (0.50) | CDK1CDK2CDK5JAK3EGFR | |
| Hydrochloric Acid SCHEMBL28247591 | 0.83 | CDK1 (0.49) | CDK1CDK2CDK5JAK3EGFR | |
| SCHEMBL4000383 | 0.82 | EGFR (0.68) | CDK1CDK2CDK5JAK3EGFR | |
| SCHEMBL28246650 | 0.80 | CDK2 (0.47) | CDK1CDK2CDK5JAK3EGFR | |
| SCHEMBL28247410 | 0.80 | CDK1 (0.51) | CDK1CDK2CDK5JAK3EGFR | |
| SCHEMBL28956762 | 0.79 | CDK2 (0.49) | CDK1CDK2CDK5JAK3EGFR | |
| SCHEMBL28246722 | 0.79 | CDK1 (0.50) | CDK1CDK2CDK5JAK3EGFR | |
| SCHEMBL28865244 | 0.77 | CDK1 (0.47) | CDK1CDK2CDK5JAK3EGFR | |
| SCHEMBL28247414 | 0.75 | CDK1 (0.46) | CDK1CDK2CDK5JAK3EGFR | |
| SCHEMBL28865198 | 0.73 | CDK1 (0.50) | CDK1CDK2KDRGSK3BCCNT1 |
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-105348203-B | Inhibit the composition and method of JAK approach | 里格尔药品股份有限公司 | 2018-09-18 | — | — | CN | disclosed |