Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 4/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 4/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 3/20 | 0.36 |
| ▸ | TPX2 | Q9ULW0 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL25781281 | 0.74 | CCNE1 (0.47) | AURKBINCENPEGFRCOMTTBK1 | |
| SCHEMBL25781891 | 0.73 | COMT (0.43) | AURKBINCENPEGFRCOMTTBK1 | |
| SCHEMBL16977985 | 0.71 | KIT (0.54) | AXLPRKCIEGFR | |
| SCHEMBL15962870 | 0.70 | AXL (0.53) | AXLPRKCI | |
| SCHEMBL25781276 | 0.68 | RIPK1 (0.50) | COMT | |
| SCHEMBL22524317 | 0.66 | EGFR (0.56) | AURKBINCENPEGFRCOMTALDH1A1 | |
| SCHEMBL25785122 | 0.66 | CYP11B1 (0.38) | AURKBINCENPEGFRCOMTHAVCR2 | |
| SCHEMBL4373960 | 0.65 | AXL (0.47) | AXLPRKCI | |
| SCHEMBL25784855 | 0.65 | CCNE1 (0.63) | AURKBINCENPEGFRCOMTTBK1 | |
| SCHEMBL1354627 | 0.65 | AURKB (0.57) | AURKBINCENPCDK2AURKATPX2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023168686-A1 | SUBSTITUTED CYCLOPENTANES AS CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2023-09-14 | — | — | WO | disclosed |
| WO-2023116884-A1 | CDK2 INHIBITORS AND USE THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2023-06-29 | — | — | WO | disclosed |