Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 17/20 | 0.41 |
| ▸ | EGFR | P00533 | 16/20 | 0.41 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.41 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.41 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28551776 | 0.95 | ERBB2 (0.42) | ERBB2EGFRERBB3ERBB4EPHA2 | |
| SCHEMBL28551903 | 0.87 | ERBB2 (0.42) | ERBB2EGFRERBB3ERBB4EPHA2 | |
| SCHEMBL28542821 | 0.86 | EGFR (0.54) | ERBB2EGFRERBB3ERBB4 | |
| SCHEMBL28537356 | 0.85 | ERBB2 (0.43) | ERBB2EGFRERBB3ERBB4EPHA2 | |
| SCHEMBL28544401 | 0.83 | KDR (0.38) | EPHA2KDREPHB4 | |
| SCHEMBL28539873 | 0.82 | EGFR (0.55) | ERBB2EGFRERBB3ERBB4 | |
| SCHEMBL28547009 | 0.81 | EGFR (0.42) | ERBB2EGFRERBB3ERBB4 | |
| SCHEMBL30213859 | 0.79 | EGFR (0.57) | ERBB2EGFRKCNH2 | |
| SCHEMBL28543192 | 0.78 | KDR (0.39) | KDR | |
| SCHEMBL30213757 | 0.78 | EGFR (0.55) | ERBB2EGFRERBB3ERBB4KCNH2 |
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 |