Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 20/20 | 0.70 |
| ▸ | GAK | O14976 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | FBP1 | P09467 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | ERBB2 | P04626 | 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 | |
|---|---|---|---|---|
| SCHEMBL186338 | 1.00 | EGFR (0.70) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL12743517 | 0.93 | EGFR (0.68) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL29623598 | 0.90 | EGFR (0.69) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL14489912 | 0.90 | EGFR (0.72) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL185131 | 0.90 | EGFR (0.69) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL14490028 | 0.89 | EGFR (0.61) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL14490029 | 0.89 | EGFR (0.61) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL209715 | 0.88 | EGFR (0.75) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL12754569 | 0.88 | EGFR (0.67) | EGFRGAKALDH1A1FBP1MAPT | |
| SCHEMBL3433430 | 0.88 | EGFR (0.83) | EGFRERBB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3436446-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2023-06-07 | — | — | EP | disclosed |
| 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 |