Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 15/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CD38 | P28907 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
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 | 0.87 | IRAK4 (0.48) | IRAK4CYP1A2CYP3A4MAPK1CD38 | |
| SCHEMBL29133716 | 0.86 | IRAK4 (0.39) | IRAK4CYP1A2CYP3A4MAPK1EGFR | |
| SCHEMBL29133754 | 0.85 | IRAK4 (0.51) | IRAK4CD38EGFRPIK3CACLK4 | |
| SCHEMBL29133704 | 0.84 | IRAK4 (0.54) | IRAK4LMNACYP1A2CYP3A4HIF1A | |
| SCHEMBL29133759 | 0.84 | EGFR (0.57) | LMNACYP1A2CYP3A4HIF1ARAF1 | |
| SCHEMBL29133711 | 0.83 | PIK3CA (0.41) | IRAK4CYP1A2CYP3A4MAPK1EGFR | |
| SCHEMBL29133743 | 0.81 | PIK3CA (0.53) | CYP1A2CYP3A4MAPK1PIK3CAMEN1 | |
| SCHEMBL29133742 | 0.81 | IRAK4 (0.35) | IRAK4CYP1A2CYP3A4RAF1MAPK1 | |
| SCHEMBL29133739 | 0.80 | HTT (0.50) | IRAK4LMNACYP1A2CYP3A4MAPK1 | |
| SCHEMBL29133745 | 0.80 | HTT (0.50) | IRAK4LMNACYP1A2CYP3A4MAPK1 |
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 |