Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.72 |
| ▸ | KDR | P35968 | 4/20 | 0.69 |
| ▸ | EPHB4 | P54760 | 4/20 | 0.69 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.69 |
| ▸ | AURKA | O14965 | 1/20 | 0.69 |
| ▸ | INSR | P06213 | 1/20 | 0.69 |
| ▸ | FBP1 | P09467 | 1/20 | 0.69 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.69 |
| ▸ | FLT4 | P35916 | 1/20 | 0.69 |
| ▸ | CLK1 | P49759 | 1/20 | 0.69 |
| ▸ | TEK | Q02763 | 1/20 | 0.69 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.69 |
| ▸ | EPHA2 | P29317 | 3/20 | 0.69 |
| ▸ | FLT1 | P17948 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL186250 | 1.00 | EGFR (0.72) | EGFRKDREPHB4ERBB2AURKA | |
| Hydrochloric Acid SCHEMBL1446449 | 0.99 | EGFR (0.71) | EGFRKDREPHB4ERBB2AURKA | |
| Hydrochloric Acid SCHEMBL1446570 | 0.94 | EGFR (0.73) | EGFRKDREPHB4ERBB2AURKA | |
| SCHEMBL1446018 | 0.90 | EGFR (0.79) | EGFRKDREPHB4ERBB2AURKA | |
| SCHEMBL666931 | 0.89 | KDR (0.82) | EGFRKDREPHB4ERBB2AURKA | |
| Hydrochloric Acid SCHEMBL1446434 | 0.89 | EGFR (0.78) | EGFRKDREPHB4ERBB2AURKA | |
| Hydrochloric Acid SCHEMBL4081795 | 0.89 | EGFR (0.78) | EGFRKDREPHB4ERBB2AURKA | |
| SCHEMBL3665008 | 0.88 | ERBB2 (0.65) | EGFRKDREPHB4ERBB2AURKA | |
| SCHEMBL29623391 | 0.85 | KDR (0.73) | EGFRKDREPHB4ERBB2AURKA | |
| SCHEMBL120714 | 0.85 | KDR (0.73) | EGFRKDREPHB4ERBB2AURKA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110840847-B | Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases | 沃泰克斯药物股份有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-110713489-B | Heteroaryl SYK inhibitors | 勃林格殷格翰国际有限公司 | 2022-05-31 | — | — | CN | disclosed |
| CN-110183440-B | Heteroaryl SYK inhibitors | 勃林格殷格翰国际有限公司 | 2022-04-22 | — | — | CN | disclosed |