Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.69 |
| ▸ | IGF1R | P08069 | 1/20 | 0.64 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.57 |
| ▸ | MLNR | O43193 | 1/20 | 0.55 |
| ▸ | KDM1A | O60341 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.55 |
| ▸ | INSR | P06213 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | NQO2 | P16083 | 1/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28400909 | 0.93 | EGFR (0.67) | EGFRIGF1RMKNK2MLNRKDM1A | |
| SCHEMBL20870046 | 0.90 | EGFR (0.70) | EGFRIGF1RMKNK2MLNRKDM1A | |
| SCHEMBL17683226 | 0.89 | EGFR (0.88) | EGFRIGF1RMLNRKDM1AABCB11 | |
| SCHEMBL30459752 | 0.89 | EGFR (0.88) | EGFRIGF1RMLNRKDM1AABCB11 | |
| SCHEMBL30539112 | 0.85 | EGFR (0.64) | EGFRIGF1RMKNK2MLNRKDM1A | |
| SCHEMBL23029360 | 0.82 | EGFR (0.78) | EGFRMLNRKDM1AABCB11ERBB2 | |
| Aumolertinib SCHEMBL17683063 | 0.81 | EGFR (1.00) | EGFRMLNRKDM1AABCB11ERBB2 | |
| Aumolertinib SCHEMBL29389482 | 0.81 | EGFR (1.00) | EGFRMLNRKDM1AABCB11ERBB2 | |
| Aumolertinib SCHEMBL30341838 | 0.81 | EGFR (0.99) | EGFRMLNRKDM1AABCB11ERBB2 | |
| SCHEMBL19532567 | 0.80 | EGFR (0.88) | EGFRIGF1RMLNRKDM1AABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3205650-A1 | EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2017-08-16 | — | — | EP | disclosed |