Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.69 |
| ▸ | CCNK | O75909 | 2/20 | 0.60 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.60 |
| ▸ | CDK2 | P24941 | 2/20 | 0.60 |
| ▸ | CCND3 | P30281 | 2/20 | 0.60 |
| ▸ | CDK9 | P50750 | 2/20 | 0.60 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.60 |
| ▸ | BRD4 | O60885 | 13/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL270085 | 1.00 | EGFR (0.69) | EGFRCCNKCCNA2CDK2CCND3 | |
| Hydrochloric Acid SCHEMBL264814 | 0.99 | EGFR (0.68) | EGFRCCNKCCNA2CDK2CCND3 | |
| SCHEMBL269204 | 0.86 | EGFR (0.65) | EGFRCCNKCCNA2CDK2CCND3 | |
| Hydrochloric Acid SCHEMBL264469 | 0.85 | EGFR (0.64) | EGFRCCNKCCNA2CDK2CCND3 | |
| SCHEMBL263148 | 0.84 | EGFR (0.62) | EGFRCCNKCCNA2CDK2CCND3 | |
| SCHEMBL270128 | 0.83 | CCNK (0.71) | CCNKCCNA2CDK2CCND3CDK9 | |
| Hydrochloric Acid SCHEMBL264699 | 0.82 | CCNK (0.70) | CCNKCCNA2CDK2CCND3CDK9 | |
| SCHEMBL24625518 | 0.82 | EGFR (1.00) | EGFRBRD4 | |
| SCHEMBL14390071 | 0.81 | EGFR (0.59) | EGFRCCNKCCNA2CDK2CCND3 | |
| SCHEMBL764487 | 0.81 | CCNK (0.59) | EGFRCCNKCCNA2CDK2CCND3 |
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-112778282-B | Pyrimidine micromolecule compound and application thereof | 温州医科大学 | 2022-07-22 | — | — | CN | disclosed |