Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 15/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29133728 | 0.89 | IRAK4 (0.48) | IRAK4USP2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29133774 | 0.86 | IRAK4 (0.47) | IRAK4CYP1A2CYP3A4HSD17B10CLK4 | |
| SCHEMBL29133748 | 0.84 | EGFR (0.47) | USP2CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL29133764 | 0.84 | PIK3CA (0.37) | IRAK4USP2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29133742 | 0.83 | IRAK4 (0.35) | IRAK4USP2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29133732 | 0.82 | PIK3CA (0.52) | IRAK4USP2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29133743 | 0.81 | PIK3CA (0.53) | USP2CYP1A2CYP3A4CYP2D6HSD17B10 | |
| SCHEMBL29133739 | 0.79 | HTT (0.50) | IRAK4CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL29133745 | 0.79 | HTT (0.50) | IRAK4CYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL29133735 | 0.78 | HTT (0.36) | IRAK4CLK4EGFRMAP4K4CLK1 |
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 |