Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.57 |
| ▸ | EGFR | P00533 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 2/20 | 0.57 |
| ▸ | APP | P05067 | 1/20 | 0.57 |
| ▸ | CCNC | P24863 | 1/20 | 0.56 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.56 |
| ▸ | CDK8 | P49336 | 1/20 | 0.56 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.56 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL17845960 | 0.89 | CLK4 (0.72) | CYP1A2CYP3A4MAPK1LMNAALDH1A1 | |
| SCHEMBL29133726 | 0.85 | MAPK1 (0.61) | CYP1A2CYP3A4MAPK1LMNAALDH1A1 | |
| SCHEMBL29133712 | 0.83 | MAPK1 (0.55) | CYP1A2CYP3A4MAPK1LMNAALDH1A1 | |
| SCHEMBL29133756 | 0.83 | MAPK1 (0.53) | CYP1A2CYP3A4MAPK1LMNAALDH1A1 | |
| SCHEMBL13912334 | 0.82 | EGFR (0.76) | MAPK1LMNAEGFRHTTAPP | |
| SCHEMBL29133708 | 0.81 | EGFR (0.82) | CYP1A2CYP3A4MAPK1LMNAALDH1A1 | |
| SCHEMBL29133707 | 0.81 | IRAK4 (0.56) | CYP1A2CYP3A4MAPK1LMNAALDH1A1 | |
| SCHEMBL29133715 | 0.80 | EGFR (0.59) | CYP1A2CYP3A4MAPK1LMNAALDH1A1 | |
| SCHEMBL29133747 | 0.79 | PIK3CA (0.65) | CYP1A2CYP3A4MAPK1LMNAALDH1A1 | |
| SCHEMBL29133700 | 0.79 | DYRK1A (0.56) | CYP1A2CYP3A4MAPK1LMNAALDH1A1 |
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 |