Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 12/20 | 0.84 |
| ▸ | EGFR | P00533 | 13/20 | 0.79 |
| ▸ | EPHB4 | P54760 | 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 |
| ▸ | KDR | P35968 | 1/20 | 0.63 |
| ▸ | CLK1 | P49759 | 1/20 | 0.63 |
| ▸ | TEK | Q02763 | 1/20 | 0.63 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.63 |
| ▸ | GAK | O14976 | 1/20 | 0.63 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.63 |
| ▸ | LYN | P07948 | 1/20 | 0.63 |
| ▸ | RET | P07949 | 1/20 | 0.63 |
| ▸ | EPHA1 | P21709 | 1/20 | 0.63 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.63 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.63 |
| ▸ | EPHB2 | P29323 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL185530 | 1.00 | ERBB2 (0.84) | ERBB2EGFREPHB4AURKAINSR | |
| SCHEMBL1920505 | 0.94 | ERBB2 (0.75) | ERBB2EGFRGAKRIPK2RIPK3 | |
| SCHEMBL24637510 | 0.93 | ERBB2 (0.86) | ERBB2EGFREPHB4AURKAINSR | |
| SCHEMBL4885366 | 0.92 | ERBB2 (1.00) | ERBB2EGFREPHB4AURKAINSR | |
| SCHEMBL1331718 | 0.91 | ERBB2 (0.82) | ERBB2EGFREPHB4AURKAINSR | |
| SCHEMBL24637201 | 0.91 | ERBB2 (0.82) | ERBB2EGFREPHB4AURKAINSR | |
| SCHEMBL4879883 | 0.90 | ERBB2 (0.81) | ERBB2EGFREPHB4AURKAINSR | |
| SCHEMBL12743207 | 0.90 | EGFR (0.79) | ERBB2EGFREPHB4AURKAINSR | |
| SCHEMBL29623426 | 0.89 | EGFR (0.82) | ERBB2EGFREPHB4AURKAINSR | |
| SCHEMBL118379 | 0.89 | EGFR (0.82) | ERBB2EGFREPHB4AURKAINSR |
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 |