Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 18/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 18/20 | 0.50 |
| ▸ | ERBB3 | P21860 | 13/20 | 0.46 |
| ▸ | ERBB4 | Q15303 | 13/20 | 0.46 |
| ▸ | CTSC | P53634 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30213773 | 0.95 | EGFR (0.49) | EGFRERBB2ERBB3ERBB4CTSC | |
| SCHEMBL28544852 | 0.92 | EGFR (0.49) | EGFRERBB2ERBB3ERBB4CTSC | |
| SCHEMBL28539471 | 0.87 | EGFR (0.48) | EGFRERBB2ERBB3ERBB4CTSC | |
| SCHEMBL30213768 | 0.86 | EGFR (0.51) | EGFRERBB2ERBB3ERBB4CTSC | |
| SCHEMBL30213672 | 0.85 | EGFR (0.51) | EGFRERBB2ERBB3ERBB4SLC6A2 | |
| SCHEMBL28537260 | 0.80 | EGFR (0.42) | EGFRERBB2ERBB3ERBB4 | |
| SCHEMBL30213708 | 0.80 | EGFR (0.57) | EGFRERBB2 | |
| SCHEMBL30213858 | 0.79 | EGFR (0.49) | EGFRERBB2ERBB3ERBB4SLC6A3 | |
| SCHEMBL30213757 | 0.79 | EGFR (0.55) | EGFRERBB2ERBB3ERBB4KCNH2 | |
| SCHEMBL28549538 | 0.78 | EGFR (0.50) | EGFRERBB2ERBB3ERBB4CTSC |
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 |