Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 14/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133776 | 0.91 | EGFR (0.58) | EGFRPIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL29133764 | 0.86 | PIK3CA (0.37) | EGFRPIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL29133759 | 0.86 | EGFR (0.57) | EGFRPIK3CACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29133716 | 0.84 | IRAK4 (0.39) | EGFRCYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL29133728 | 0.82 | IRAK4 (0.48) | EGFRCYP1A2CYP3A4CYP2D6USP2 | |
| SCHEMBL29133711 | 0.80 | PIK3CA (0.41) | EGFRPIK3CACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29133742 | 0.78 | IRAK4 (0.35) | PIK3CAPIK3CDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29133774 | 0.78 | IRAK4 (0.47) | EGFRPIK3CACYP1A2CYP3A4CLK4 | |
| SCHEMBL29133732 | 0.78 | PIK3CA (0.52) | EGFRPIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL29133739 | 0.75 | HTT (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD |
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 |