Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.49 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | ILK | Q13418 | 1/20 | 0.42 |
| ▸ | RAC1 | P63000 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | TTK | P33981 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30213776 | 0.95 | EGFR (0.55) | EGFRCSNK2A1RAC1SRCPIK3CA | |
| SCHEMBL30213747 | 0.89 | AIMP2 (0.45) | EGFRSRCGAK | |
| SCHEMBL28546121 | 0.89 | AIMP2 (0.45) | EGFRSRCGAK | |
| SCHEMBL30213605 | 0.82 | EGFR (0.45) | EGFRCSNK2A1SRCABL1 | |
| SCHEMBL30213753 | 0.80 | EGFR (0.47) | EGFRCSNK2A1RAC1ABL1BCR | |
| SCHEMBL30213765 | 0.77 | EGFR (0.54) | EGFRSRCABL1SLC6A3KCNH2 | |
| SCHEMBL28539892 | 0.76 | EGFR (0.37) | EGFRAKT1GAKRIPK2BUB1 | |
| SCHEMBL28540776 | 0.75 | EGFR (0.48) | EGFRCSNK2A1KCNH2GAK | |
| SCHEMBL28700304 | 0.74 | EGFR (0.84) | EGFRILKAURKACDK2TTK | |
| SCHEMBL4124144 | 0.70 | EGFR (0.82) | EGFRILKAURKACDK2TTK |
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-112574177-B | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2023-01-31 | — | — | CN | disclosed |