Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 20/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | 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 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL20674071 | 0.89 | EGFR (0.55) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL20674072 | 0.89 | EGFR (0.72) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL20673927 | 0.80 | EGFR (0.71) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL23729050 | 0.79 | EGFR (0.61) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL20673924 | 0.77 | EGFR (0.74) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL20673925 | 0.77 | EGFR (0.57) | EGFRKCNH2INSR | |
| SCHEMBL20673926 | 0.76 | EGFR (0.76) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL21958584 | 0.74 | EGFR (0.65) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL19337078 | 0.74 | EGFR (0.84) | EGFRKCNH2MLNRKDM1AABCB11 | |
| SCHEMBL23374155 | 0.73 | EGFR (0.86) | EGFRKCNH2MLNRKDM1AABCB11 |
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-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |