Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 18/20 | 0.63 |
| ▸ | ERBB2 | P04626 | 16/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.45 |
| ▸ | ERBB4 | Q15303 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30213748 | 0.91 | EGFR (0.62) | EGFRERBB2KCNH2 | |
| SCHEMBL30213800 | 0.86 | EGFR (0.63) | EGFRERBB2KCNH2 | |
| SCHEMBL28911198 | 0.85 | EGFR (0.55) | EGFRERBB2KCNH2ERBB3ERBB4 | |
| SCHEMBL28539872 | 0.84 | ERBB2 (0.59) | EGFRERBB2 | |
| SCHEMBL28551800 | 0.83 | EGFR (0.57) | EGFRERBB2KCNH2ERBB3ERBB4 | |
| SCHEMBL30213684 | 0.81 | EGFR (0.54) | EGFRERBB2ERBB4 | |
| SCHEMBL28540768 | 0.81 | EGFR (0.54) | EGFRERBB2ERBB4 | |
| SCHEMBL28544342 | 0.80 | ERBB2 (0.64) | EGFRERBB2 | |
| SCHEMBL19089286 | 0.78 | ERBB2 (0.56) | EGFRERBB2KCNH2ERBB3ERBB4 | |
| SCHEMBL35210264 | 0.78 | ERBB2 (0.56) | EGFRERBB2KCNH2ERBB3ERBB4 |
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 3 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-B | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-112574177-A | Pyrimidine derivatives and application thereof in preparing antitumor drugs | 陕西师范大学 | 2021-03-30 | — | — | CN | disclosed |