Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.68 |
| ▸ | GAK | O14976 | 1/20 | 0.68 |
| ▸ | KDR | P35968 | 8/20 | 0.65 |
| ▸ | RET | P07949 | 3/20 | 0.65 |
| ▸ | CLK1 | P49759 | 2/20 | 0.65 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.65 |
| ▸ | LCK | P06239 | 3/20 | 0.64 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.63 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.63 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.63 |
| ▸ | KIF5B | P33176 | 2/20 | 0.63 |
| ▸ | AURKA | O14965 | 1/20 | 0.63 |
| ▸ | INSR | P06213 | 1/20 | 0.63 |
| ▸ | FBP1 | P09467 | 1/20 | 0.63 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.63 |
| ▸ | FLT4 | P35916 | 1/20 | 0.63 |
| ▸ | TEK | Q02763 | 1/20 | 0.63 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.63 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.63 |
| ▸ | EPHA2 | P29317 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8812533 | 0.99 | EGFR (0.67) | EGFRGAKKDRRETCLK1 | |
| SCHEMBL1387156 | 0.91 | EGFR (0.75) | EGFRGAKKDRRETCLK1 | |
| Hydrochloric Acid SCHEMBL8811182 | 0.90 | EGFR (0.76) | EGFRGAKKDRRETCLK1 | |
| SCHEMBL17520378 | 0.88 | EGFR (0.80) | EGFRGAKKDRCLK1ERBB2 | |
| SCHEMBL17557985 | 0.88 | EGFR (0.80) | EGFRGAKKDRCLK1ERBB2 | |
| SCHEMBL8308821 | 0.88 | EGFR (0.80) | EGFRGAKKDRRETCLK1 | |
| Hydrochloric Acid SCHEMBL8809576 | 0.87 | EGFR (0.76) | EGFRGAKKDRRETCLK1 | |
| SCHEMBL8933754 | 0.87 | EGFR (0.80) | EGFRGAKKDRRETCLK1 | |
| SCHEMBL30891782 | 0.87 | EGFR (0.83) | EGFRGAKKDRRETLCK | |
| SCHEMBL668572 | 0.86 | EGFR (0.81) | EGFRGAKKDRRETABCG2 |
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-1996009294-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-03-28 | — | — | WO | disclosed |