Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 17/20 | 0.71 |
| ▸ | INSR | P06213 | 13/20 | 0.71 |
| ▸ | IGF1R | P08069 | 13/20 | 0.71 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.60 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL16995965 | 0.84 | ALK (0.87) | ALKINSRIGF1RLRRK2MAP4K1 | |
| SCHEMBL21557830 | 0.83 | ALK (0.81) | ALKINSRIGF1RLRRK2MAP4K1 | |
| SCHEMBL11916548 | 0.83 | ALK (1.00) | ALKINSRIGF1RLRRK2MAP4K1 | |
| SCHEMBL22942141 | 0.80 | EGFR (0.69) | ALKINSRIGF1RMAP4K1EGFR | |
| SCHEMBL24940073 | 0.80 | ALK (0.77) | ALKINSRIGF1REGFR | |
| SCHEMBL30105846 | 0.80 | ALK (0.77) | ALKINSRIGF1REGFR | |
| SCHEMBL22942279 | 0.79 | EGFR (0.58) | ALKINSRIGF1RMAP4K1EGFR | |
| SCHEMBL13832187 | 0.79 | ALK (0.58) | ALKINSRIGF1RMAP4K1EGFR | |
| SCHEMBL22942228 | 0.79 | EGFR (0.64) | ALKINSRIGF1RLRRK2EGFR | |
| SCHEMBL22942136 | 0.79 | INSR (0.40) | ALKINSRIGF1RMAP4K1EGFR |
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-2023006088-A1 | COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION AND USE THEREOF | 浙江大学智能创新药物研究院 | 2023-02-02 | — | — | WO | disclosed |