Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.58 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.57 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.57 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.48 |
| ▸ | IGF1R | P08069 | 1/20 | 0.48 |
| ▸ | CDK2 | P24941 | 1/20 | 0.48 |
| ▸ | CLK1 | P49759 | 1/20 | 0.48 |
| ▸ | CLK2 | P49760 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.48 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | DYRK4 | Q9NR20 | 1/20 | 0.48 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14661173 | 1.00 | EGFR (0.58) | EGFRMKNK2MKNK1DYRK3IGF1R | |
| SCHEMBL17542590 | 0.96 | EGFR (0.57) | EGFRMKNK2MKNK1DYRK3IGF1R | |
| SCHEMBL18607354 | 0.91 | EGFR (0.47) | EGFRMKNK2MKNK1DYRK3IGF1R | |
| SCHEMBL14661496 | 0.88 | EGFR (0.55) | EGFRMKNK2MKNK1HDAC1HDAC3 | |
| SCHEMBL29974724 | 0.88 | EGFR (0.55) | EGFRMKNK2MKNK1HDAC1HDAC3 | |
| Hydrochloric Acid SCHEMBL28402901 | 0.87 | EGFR (0.64) | EGFRMKNK2MKNK1DYRK3IGF1R | |
| SCHEMBL29974663 | 0.86 | EGFR (0.75) | EGFRMKNK2MKNK1DYRK3IGF1R | |
| SCHEMBL30393974 | 0.86 | EGFR (0.75) | EGFRMKNK2MKNK1DYRK3IGF1R | |
| SCHEMBL14663468 | 0.86 | EGFR (0.75) | EGFRMKNK2MKNK1DYRK3IGF1R | |
| SCHEMBL14718992 | 0.86 | EGFR (0.78) | 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 |
|---|---|---|---|---|---|---|---|
| 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 |