Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 10/20 | 0.54 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133774 | 0.84 | IRAK4 (0.47) | IRAK4PIK3CAEGFRALDH1A1HSD17B10 | |
| SCHEMBL29133754 | 0.83 | IRAK4 (0.51) | IRAK4PIK3CDPIK3CAPIK3CBEGFR | |
| SCHEMBL29133759 | 0.81 | EGFR (0.57) | PIK3CAEGFRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL29133711 | 0.81 | PIK3CA (0.41) | IRAK4PIK3CAEGFRHSD17B10CYP3A4 | |
| SCHEMBL29133732 | 0.80 | PIK3CA (0.52) | IRAK4PIK3CDPIK3CAPIK3CBEGFR | |
| SCHEMBL29133728 | 0.79 | IRAK4 (0.48) | IRAK4EGFRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL29133716 | 0.78 | IRAK4 (0.39) | IRAK4EGFRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL29133742 | 0.77 | IRAK4 (0.35) | IRAK4PIK3CDPIK3CAALDH1A1HSD17B10 | |
| SCHEMBL29133739 | 0.75 | HTT (0.50) | IRAK4ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL29133745 | 0.75 | HTT (0.50) | IRAK4ALDH1A1CYP3A4TSHRCYP1A2 |
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 |