Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 12/20 | 0.51 |
| ▸ | CDK2 | P24941 | 12/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | SMG1 | Q96Q15 | 1/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 7/20 | 0.50 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.50 |
| ▸ | CDK9 | P50750 | 6/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.50 |
| ▸ | FLT3 | P36888 | 3/20 | 0.50 |
| ▸ | CCND3 | P30281 | 1/20 | 0.50 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 5/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 5/20 | 0.47 |
| ▸ | AURKA | O14965 | 5/20 | 0.47 |
| ▸ | DCLK1 | O15075 | 5/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.47 |
| ▸ | SYK | P43405 | 5/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28246722 | 0.97 | CDK1 (0.50) | CDK1CDK2MTORSMG1CDK5 | |
| SCHEMBL28956762 | 0.91 | CDK2 (0.49) | CDK1CDK2MTORSMG1CDK5 | |
| SCHEMBL28246733 | 0.88 | CDK1 (0.60) | CDK1CDK2CCNT1CCNB1CDK9 | |
| SCHEMBL28865417 | 0.85 | CDK1 (0.59) | CDK1CDK2CCNT1CCNB1CDK9 | |
| SCHEMBL28059048 | 0.84 | CDK1 (0.50) | CDK1CDK2MTORSMG1CDK5 | |
| Hydrochloric Acid SCHEMBL28247591 | 0.83 | CDK1 (0.49) | CDK1CDK2MTORSMG1CDK5 | |
| SCHEMBL28246650 | 0.83 | CDK2 (0.47) | CDK1CDK2MTORSMG1CDK5 | |
| SCHEMBL28865244 | 0.81 | CDK1 (0.47) | CDK1CDK2CDK5CCNT1CCNB1 | |
| SCHEMBL4002682 | 0.81 | JAK3 (0.59) | CDK1CDK2CDK5CCNT1CCNB1 | |
| SCHEMBL28247405 | 0.80 | CDK1 (0.51) | CDK1CDK2MTORSMG1CDK5 |
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 |