Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.59 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 8/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.50 |
| ▸ | LMNA | P02545 | 7/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.50 |
| ▸ | USP2 | O75604 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133765 | 0.84 | EGFR (0.54) | EGFRPIK3CACYP1A2CYP3A4MAPK1 | |
| SCHEMBL29133708 | 0.84 | EGFR (0.82) | EGFRPIK3CACYP1A2CYP3A4MAPK1 | |
| SCHEMBL29775132 | 0.80 | EGFR (0.62) | EGFRPIK3CACYP1A2CYP3A4CLK4 | |
| SCHEMBL24576822 | 0.80 | EGFR (0.62) | EGFRPIK3CACYP1A2CYP3A4CLK4 | |
| SCHEMBL29133772 | 0.80 | CYP1A2 (0.57) | EGFRPIK3CACYP1A2CYP3A4MAPK1 | |
| SCHEMBL29133751 | 0.79 | EGFR (0.68) | EGFRPIK3CACYP1A2CYP3A4MAPK1 | |
| SCHEMBL29133707 | 0.79 | IRAK4 (0.56) | EGFRPIK3CACYP1A2CYP3A4MAPK1 | |
| SCHEMBL29133756 | 0.78 | MAPK1 (0.53) | EGFRPIK3CACYP1A2CYP3A4MAPK1 | |
| SCHEMBL27170398 | 0.78 | EGFR (0.84) | EGFRPIK3CACYP1A2CYP3A4MAPK1 | |
| SCHEMBL29133777 | 0.76 | PIK3CA (0.75) | EGFRPIK3CACYP1A2CYP3A4ALDH1A1 |
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 |