Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 19/20 | 0.58 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.57 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.57 |
| ▸ | IGF1R | P08069 | 1/20 | 0.49 |
| ▸ | MLNR | O43193 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | INSR | P06213 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29232101 | 1.00 | EGFR (0.58) | EGFRMKNK1MKNK2IGF1RMLNR | |
| SCHEMBL14663290 | 0.95 | EGFR (0.59) | EGFRMKNK1MKNK2IGF1RMLNR | |
| SCHEMBL30956837 | 0.95 | EGFR (0.59) | EGFRMKNK1MKNK2IGF1RMLNR | |
| SCHEMBL29974314 | 0.95 | EGFR (0.59) | EGFRMKNK1MKNK2IGF1RMLNR | |
| SCHEMBL14719543 | 0.95 | EGFR (0.59) | EGFRMKNK1MKNK2IGF1RMLNR | |
| SCHEMBL14719569 | 0.94 | MKNK1 (0.61) | EGFRMKNK1MKNK2MLNRKDM1A | |
| SCHEMBL19336983 | 0.90 | EGFR (0.63) | EGFRMKNK1MKNK2MLNRKDM1A | |
| SCHEMBL14663274 | 0.89 | MKNK1 (0.61) | EGFRMKNK1MKNK2MLNRKDM1A | |
| SCHEMBL30108160 | 0.89 | MKNK1 (0.61) | EGFRMKNK1MKNK2MLNRKDM1A | |
| SCHEMBL14719016 | 0.86 | EGFR (0.72) | EGFRMKNK1MKNK2IGF1RKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115650974-B | N- [5- (pyrimidine-2-amino) -2, 4-disubstituted phenyl ] -cis-pentadiene amide derivative and application thereof | 天津大学 | 2024-06-18 | — | — | CN | disclosed |