Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.63 |
| ▸ | ERBB2 | P04626 | 11/20 | 0.63 |
| ▸ | STK4 | Q13043 | 1/20 | 0.49 |
| ▸ | STK3 | Q13188 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 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 | 0.96 | EGFR (0.62) | EGFRERBB2STK4STK3KCNH2 | |
| SCHEMBL28537354 | 0.86 | EGFR (0.63) | EGFRERBB2KCNH2 | |
| SCHEMBL30213859 | 0.86 | EGFR (0.57) | EGFRERBB2STK4STK3KCNH2 | |
| SCHEMBL30213666 | 0.85 | EGFR (0.66) | EGFRERBB2 | |
| SCHEMBL30213757 | 0.84 | EGFR (0.55) | EGFRERBB2STK4STK3KCNH2 | |
| SCHEMBL30213670 | 0.81 | EGFR (0.54) | EGFRERBB2KCNH2JAK3BTK | |
| SCHEMBL30213663 | 0.80 | EGFR (0.61) | EGFRERBB2 | |
| SCHEMBL19089585 | 0.79 | EGFR (0.56) | EGFRERBB2KCNH2 | |
| SCHEMBL28551903 | 0.79 | ERBB2 (0.42) | EGFRERBB2KCNH2 | |
| SCHEMBL1406470 | 0.77 | ERBB2 (1.00) | EGFRERBB2KCNH2 |
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 |