Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.55 |
| ▸ | ALK | Q9UM73 | 7/20 | 0.54 |
| ▸ | INSR | P06213 | 3/20 | 0.53 |
| ▸ | IGF1R | P08069 | 3/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.53 |
| ▸ | ROS1 | P08922 | 1/20 | 0.53 |
| ▸ | EML4 | Q9HC35 | 1/20 | 0.53 |
| ▸ | MAP4K1 | Q92918 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30105960 | 1.00 | EGFR (0.55) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL24940904 | 0.89 | ALK (0.68) | EGFRALKINSRIGF1RMAP4K1 | |
| SCHEMBL30105829 | 0.89 | ALK (0.62) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL30105896 | 0.86 | EGFR (0.68) | EGFRALKINSRIGF1RMAP4K1 | |
| SCHEMBL24940906 | 0.86 | ALK (0.57) | EGFRALKINSRIGF1R | |
| SCHEMBL28949783 | 0.85 | EGFR (0.74) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL24940720 | 0.83 | EGFR (0.64) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL30105866 | 0.83 | EGFR (0.64) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL24940066 | 0.83 | ALK (0.61) | EGFRALKINSRIGF1RAURKA | |
| SCHEMBL24940746 | 0.83 | ALK (0.59) | EGFRALKINSRIGF1RAURKA |
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 |