Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | COMT | P21964 | 1/20 | 0.37 |
| ▸ | LATS1 | O95835 | 5/20 | 0.35 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
| ▸ | JAK1 | P23458 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25781281 | 0.77 | CCNE1 (0.47) | CCNE1CDK2COMTEGFRAURKB | |
| SCHEMBL25784855 | 0.75 | CCNE1 (0.63) | CCNE1CDK2COMTEGFRAURKB | |
| SCHEMBL25781276 | 0.72 | RIPK1 (0.50) | COMT | |
| SCHEMBL25404996 | 0.71 | CCNE1 (0.58) | CCNE1CDK2COMTEGFRAURKB | |
| SCHEMBL25781891 | 0.71 | COMT (0.43) | CCNE1CDK2COMTLATS1LATS2 | |
| SCHEMBL25784959 | 0.68 | CCNE1 (0.42) | CCNE1CDK2COMTEGFRAURKB | |
| SCHEMBL25781286 | 0.65 | CDK2 (0.70) | CCNE1CDK2COMTEGFRAURKB | |
| SCHEMBL25786355 | 0.64 | AURKB (0.42) | CCNE1CDK2COMTEGFRAURKB | |
| SCHEMBL17680257 | 0.63 | COMT (0.49) | COMTAURKB | |
| SCHEMBL14317672 | 0.60 | CYP1A2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023116884-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2023-06-29 | — | — | WO | disclosed |