Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | GAK | O14976 | 2/20 | 0.35 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL28540776 | 0.96 | EGFR (0.48) | EGFRERBB2GAKEPHA2CHEK1 | |
| SCHEMBL28546217 | 0.84 | EGFR (0.46) | EGFRERBB2CHEK1KCNH2CSNK2A1 | |
| SCHEMBL28546210 | 0.82 | EGFR (0.48) | EGFRERBB2CHEK1KCNH2CSNK2A1 | |
| SCHEMBL28539892 | 0.81 | EGFR (0.37) | EGFRERBB2GAKTDO2 | |
| SCHEMBL28546222 | 0.80 | EPHA2 (0.39) | EPHA2KDR | |
| SCHEMBL28551903 | 0.76 | ERBB2 (0.42) | EGFRERBB2EPHA2KCNH2KDR | |
| SCHEMBL30213776 | 0.75 | EGFR (0.55) | EGFRCSNK2A1KDR | |
| SCHEMBL28547006 | 0.75 | EPHA2 (0.39) | EPHA2KDR | |
| SCHEMBL30213714 | 0.74 | EGFR (0.49) | EGFRGAKKCNH2CSNK2A1 | |
| SCHEMBL30213747 | 0.71 | AIMP2 (0.45) | EGFRERBB2GAKKDRTDO2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | claimed |
| CN-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | disclosed |