Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 16/20 | 0.70 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.68 |
| ▸ | KDR | P35968 | 4/20 | 0.65 |
| ▸ | EPHB4 | P54760 | 3/20 | 0.65 |
| ▸ | AURKA | O14965 | 1/20 | 0.65 |
| ▸ | INSR | P06213 | 1/20 | 0.65 |
| ▸ | FBP1 | P09467 | 1/20 | 0.65 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.65 |
| ▸ | FLT4 | P35916 | 1/20 | 0.65 |
| ▸ | CLK1 | P49759 | 1/20 | 0.65 |
| ▸ | TEK | Q02763 | 1/20 | 0.65 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.65 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL169433 | 1.00 | EGFR (0.70) | EGFRERBB2KDREPHB4AURKA | |
| SCHEMBL208516 | 1.00 | EGFR (0.70) | EGFRERBB2KDREPHB4AURKA | |
| SCHEMBL1919780 | 0.96 | ERBB2 (0.65) | EGFRERBB2KDREPHB4AURKA | |
| SCHEMBL2781493 | 0.94 | EGFR (0.63) | EGFRERBB2KDREPHB4AURKA | |
| SCHEMBL375151 | 0.94 | EGFR (0.63) | EGFRERBB2KDREPHB4AURKA | |
| SCHEMBL14489893 | 0.94 | EGFR (0.70) | EGFRERBB2KDREPHB4AURKA | |
| SCHEMBL1446383 | 0.94 | EGFR (0.70) | EGFRERBB2KDREPHB4AURKA | |
| SCHEMBL1446382 | 0.94 | EGFR (0.70) | EGFRERBB2KDREPHB4AURKA | |
| SCHEMBL14489890 | 0.94 | EGFR (0.70) | EGFRERBB2KDREPHB4AURKA | |
| SCHEMBL4781069 | 0.93 | FBP1 (0.67) | EGFRERBB2FBP1ERBB4 |
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 |