Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.79 |
| ▸ | CLK1 | P49759 | 2/20 | 0.79 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.79 |
| ▸ | LCK | P06239 | 2/20 | 0.77 |
| ▸ | KDR | P35968 | 5/20 | 0.65 |
| ▸ | RET | P07949 | 2/20 | 0.65 |
| ▸ | KIF5B | P33176 | 2/20 | 0.65 |
| ▸ | FLT1 | P17948 | 1/20 | 0.65 |
| ▸ | SRC | P12931 | 1/20 | 0.63 |
| ▸ | AURKA | O14965 | 1/20 | 0.61 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.61 |
| ▸ | INSR | P06213 | 1/20 | 0.61 |
| ▸ | FBP1 | P09467 | 1/20 | 0.61 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.61 |
| ▸ | FLT4 | P35916 | 1/20 | 0.61 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.61 |
| ▸ | TEK | Q02763 | 1/20 | 0.61 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL28646400 | 0.90 | KDR (0.80) | EGFRABCG2LCKKDRRET | |
| SCHEMBL5565137 | 0.89 | EGFR (1.00) | EGFRCLK1ABCG2LCKKDR | |
| SCHEMBL14964688 | 0.89 | EGFR (0.80) | EGFRLCKKDRFLT1 | |
| SCHEMBL14964773 | 0.87 | EGFR (0.85) | EGFRCLK1KDRAURKAERBB2 | |
| SCHEMBL31491085 | 0.87 | EGFR (0.85) | EGFRCLK1KDRAURKAERBB2 | |
| SCHEMBL30207668 | 0.87 | EGFR (0.85) | EGFRCLK1KDRAURKAERBB2 | |
| SCHEMBL28520911 | 0.87 | EGFR (0.85) | EGFRCLK1KDRAURKAERBB2 | |
| SCHEMBL28641557 | 0.86 | FBP1 (0.83) | EGFRABCG2KDRFLT1SRC | |
| SCHEMBL6691545 | 0.85 | KDR (0.60) | EGFRCLK1ABCG2LCKKDR | |
| SCHEMBL6691540 | 0.85 | KDR (0.66) | EGFRKDRAURKB |
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-106083836-B | H based on quinazoline structure2S donor compound and application thereof | 徐州医学院 | 2021-08-20 | — | — | CN | disclosed |