Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.77 |
| ▸ | ERBB2 | P04626 | 8/20 | 0.77 |
| ▸ | KDR | P35968 | 3/20 | 0.77 |
| ▸ | AURKA | O14965 | 1/20 | 0.77 |
| ▸ | INSR | P06213 | 1/20 | 0.77 |
| ▸ | FBP1 | P09467 | 1/20 | 0.77 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.77 |
| ▸ | FLT4 | P35916 | 1/20 | 0.77 |
| ▸ | CLK1 | P49759 | 1/20 | 0.77 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.77 |
| ▸ | TEK | Q02763 | 1/20 | 0.77 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.77 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.68 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.68 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.68 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.68 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.68 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.68 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL30968994 | 0.91 | EGFR (0.82) | EGFRERBB2KDRAURKAINSR | |
| SCHEMBL3328655 | 0.91 | EGFR (0.82) | EGFRERBB2KDRAURKAINSR | |
| Hydrochloric Acid SCHEMBL641764 | 0.90 | EGFR (0.80) | EGFRERBB2KDRAURKAINSR | |
| SCHEMBL30505605 | 0.88 | EGFR (1.00) | EGFRERBB2KDRAURKAINSR | |
| SCHEMBL2099106 | 0.88 | EGFR (1.00) | EGFRERBB2KDRAURKAINSR | |
| SCHEMBL4196532 | 0.88 | EGFR (0.83) | EGFRERBB2KDRAURKAINSR | |
| Hydrochloric Acid SCHEMBL27887194 | 0.87 | EGFR (0.98) | EGFRERBB2KDRAURKAINSR | |
| SCHEMBL28420973 | 0.87 | EGFR (0.77) | EGFRERBB2KDRAURKAINSR | |
| SCHEMBL15217638 | 0.86 | EGFR (0.79) | EGFRERBB2KDRAURKAINSR | |
| SCHEMBL13006602 | 0.85 | EGFR (0.71) | EGFRERBB2KDRAURKAINSR |
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-117050025-A | Gefitinib derivative and preparation method thereof | 川北医学院 | 2023-11-14 | — | — | CN | disclosed |