Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 12/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 2/20 | 0.37 |
| ▸ | CD38 | P28907 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | CLK3 | P49761 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133716 | 0.89 | IRAK4 (0.39) | IRAK4EGFRMAP4K4CLK1CLK4 | |
| SCHEMBL29133774 | 0.87 | IRAK4 (0.47) | IRAK4EGFRMAP4K4CD38CLK4 | |
| SCHEMBL29133742 | 0.84 | IRAK4 (0.35) | IRAK4MAP4K4CLK1CD38CLK4 | |
| SCHEMBL29133743 | 0.84 | PIK3CA (0.53) | MAP4K4CLK1CLK4CLK2CLK3 | |
| SCHEMBL29133732 | 0.83 | PIK3CA (0.52) | IRAK4EGFRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29133748 | 0.82 | EGFR (0.47) | EGFRCLK4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29133739 | 0.82 | HTT (0.50) | IRAK4CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL29133745 | 0.82 | HTT (0.50) | IRAK4CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL29133752 | 0.81 | HTT (0.36) | IRAK4EGFRMAP4K4CLK1CD38 | |
| SCHEMBL29133735 | 0.81 | HTT (0.36) | IRAK4EGFRMAP4K4CLK1CD38 |
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-117295716-A | Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors | 麦克尼斯迪克治疗有限公司 | 2023-12-26 | — | — | CN | disclosed |