Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 13/20 | 0.49 |
| ▸ | INSR | P06213 | 5/20 | 0.49 |
| ▸ | CCNK | O75909 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 3/20 | 0.43 |
| ▸ | EML4 | Q9HC35 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 2/20 | 0.42 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.42 |
| ▸ | MET | P08581 | 3/20 | 0.42 |
| ▸ | BTK | Q06187 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29833217 | 0.91 | CDK1 (0.51) | ALKINSRCDK2EGFRCDK1 | |
| SCHEMBL29833012 | 0.86 | ALK (0.49) | ALKINSRCCNKCCNA2CDK2 | |
| SCHEMBL29833127 | 0.80 | INSR (0.53) | ALKINSRCCNKCCNA2CDK2 | |
| SCHEMBL29833287 | 0.80 | CTSC (0.66) | ALKINSRCCNKCCNA2CDK2 | |
| SCHEMBL29833039 | 0.80 | ALK (0.50) | ALKINSRCCNKCCNA2CDK2 | |
| SCHEMBL29833020 | 0.77 | INSR (0.59) | ALKINSRCDK9EGFRIGF1R | |
| SCHEMBL29833045 | 0.77 | BRD4 (0.53) | ALKINSRCCNKCCNA2CDK2 | |
| SCHEMBL29833003 | 0.76 | CCNK (0.47) | ALKINSRCCNKCCNA2CDK2 | |
| SCHEMBL22462157 | 0.74 | ALK (0.72) | ALKINSREGFREML4IGF1R | |
| SCHEMBL29833300 | 0.74 | INSR (0.61) | ALKINSREGFREML4IGF1R |
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 |