Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 14/20 | 0.43 |
| ▸ | ERBB3 | P21860 | 8/20 | 0.43 |
| ▸ | ERBB4 | Q15303 | 8/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28552919 | 0.96 | EGFR (0.43) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL28547009 | 0.88 | EGFR (0.42) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL28537260 | 0.86 | EGFR (0.42) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL28546222 | 0.81 | EPHA2 (0.39) | — | |
| SCHEMBL28552895 | 0.81 | EGFR (0.54) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL30213672 | 0.80 | EGFR (0.51) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL28551903 | 0.80 | ERBB2 (0.42) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL30213768 | 0.79 | EGFR (0.51) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL28544348 | 0.77 | EGFR (0.55) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL28547006 | 0.77 | EPHA2 (0.39) | — |
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 |