Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.67 |
| ▸ | FBP1 | P09467 | 2/20 | 0.66 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.66 |
| ▸ | AURKA | O14965 | 1/20 | 0.66 |
| ▸ | INSR | P06213 | 1/20 | 0.66 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.66 |
| ▸ | FLT4 | P35916 | 1/20 | 0.66 |
| ▸ | KDR | P35968 | 1/20 | 0.66 |
| ▸ | CLK1 | P49759 | 1/20 | 0.66 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.66 |
| ▸ | TEK | Q02763 | 1/20 | 0.66 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.66 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18660007 | 0.90 | FBP1 (0.82) | EGFRFBP1ERBB2AURKAINSR | |
| SCHEMBL19125531 | 0.89 | FBP1 (0.62) | EGFRFBP1ERBB2AURKAINSR | |
| SCHEMBL19027153 | 0.88 | EGFR (0.66) | EGFRFBP1ERBB2AURKAINSR | |
| SCHEMBL22519385 | 0.88 | EGFR (0.81) | EGFRFBP1ERBB2AURKAINSR | |
| SCHEMBL19125553 | 0.87 | EGFR (0.63) | EGFRFBP1ERBB2AURKAINSR | |
| SCHEMBL24377 | 0.86 | EGFR (0.66) | EGFRFBP1ERBB2AURKAINSR | |
| SCHEMBL19006863 | 0.85 | EGFR (0.64) | EGFRERBB2KDRHDAC3HDAC4 | |
| SCHEMBL7802281 | 0.84 | EGFR (0.67) | EGFRFBP1ERBB2AURKAINSR | |
| SCHEMBL15217652 | 0.83 | FBP1 (0.78) | EGFRFBP1ERBB2AURKAINSR | |
| SCHEMBL15217656 | 0.82 | EGFR (0.90) | EGFRFBP1ERBB2AURKAINSR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017117680-A1 | NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS | TRILLIUM THERAPEUTICS INC. (CA) | 2017-07-13 | — | — | WO | disclosed |