Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.64 |
| ▸ | ALK | Q9UM73 | 13/20 | 0.63 |
| ▸ | INSR | P06213 | 5/20 | 0.62 |
| ▸ | IGF1R | P08069 | 5/20 | 0.62 |
| ▸ | AURKA | O14965 | 1/20 | 0.62 |
| ▸ | ROS1 | P08922 | 1/20 | 0.62 |
| ▸ | EML4 | Q9HC35 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL31498868 | 1.00 | EGFR (0.64) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL30105840 | 0.92 | EGFR (0.64) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL30105892 | 0.92 | EGFR (0.67) | EGFRALKINSRIGF1R | |
| SCHEMBL24940927 | 0.92 | EGFR (0.64) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL24940939 | 0.92 | EGFR (0.67) | EGFRALKINSRIGF1R | |
| SCHEMBL24940073 | 0.90 | ALK (0.77) | EGFRALKINSRIGF1R | |
| SCHEMBL30105846 | 0.90 | ALK (0.77) | EGFRALKINSRIGF1R | |
| SCHEMBL24940718 | 0.90 | ALK (0.68) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL30105844 | 0.90 | ALK (0.68) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL30105882 | 0.90 | ALK (0.64) | EGFRALKINSRIGF1R |
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 |