Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.53 |
| ▸ | STK17B | O94768 | 2/20 | 0.51 |
| ▸ | STK17A | Q9UEE5 | 2/20 | 0.51 |
| ▸ | CCNK | O75909 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 3/20 | 0.47 |
| ▸ | INSR | P06213 | 3/20 | 0.46 |
| ▸ | IGF1R | P08069 | 3/20 | 0.46 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 5/20 | 0.46 |
| ▸ | ULK1 | O75385 | 2/20 | 0.45 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29833003 | 0.87 | CCNK (0.47) | CCNKCCNA2CDK2CDK9EGFR | |
| SCHEMBL29832994 | 0.85 | ALK (0.47) | CDK9INSRIGF1RALKULK1 | |
| SCHEMBL29833127 | 0.84 | INSR (0.53) | BRD4STK17ACCNKCCNA2CDK2 | |
| SCHEMBL29833039 | 0.82 | ALK (0.50) | BRD4STK17ACCNKCCNA2CDK2 | |
| SCHEMBL31344567 | 0.80 | PTK2 (0.63) | BRD4STK17BSTK17ACDK9EGFR | |
| SCHEMBL29833012 | 0.78 | ALK (0.49) | CCNKCCNA2CDK2CDK9EGFR | |
| SCHEMBL29833287 | 0.78 | CTSC (0.66) | BRD4CCNKCCNA2CDK2CDK9 | |
| SCHEMBL17547486 | 0.78 | ULK1 (0.68) | INSRIGF1RALKPTK2ULK1 | |
| SCHEMBL29833217 | 0.77 | CDK1 (0.51) | CDK2EGFRINSRALKPTK2 | |
| SCHEMBL29833009 | 0.77 | ALK (0.49) | CCNKCCNA2CDK2CDK9EGFR |
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-2022199589-A1 | PYRIMIDINE DERIVATIVES | 南京明德新药研发有限公司 | 2022-09-29 | — | — | WO | disclosed |