Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.43 |
| ▸ | RAF1 | P04049 | 9/20 | 0.42 |
| ▸ | BRAF | P15056 | 9/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL29133728 | 0.83 | IRAK4 (0.48) | EGFRIRAK4USP2CYP1A2CYP3A4 | |
| SCHEMBL29133720 | 0.82 | MELK (0.40) | PIK3CAEGFRPIK3CDPIK3CBPIK3CG | |
| SCHEMBL29133716 | 0.82 | IRAK4 (0.39) | EGFRIRAK4USP2CYP1A2CYP3A4 | |
| SCHEMBL29133742 | 0.81 | IRAK4 (0.35) | PIK3CAIRAK4PIK3CDRAF1BRAF | |
| SCHEMBL29133774 | 0.81 | IRAK4 (0.47) | PIK3CAEGFRIRAK4RAF1LMNA | |
| SCHEMBL29133704 | 0.80 | IRAK4 (0.54) | PIK3CAEGFRIRAK4PIK3CDPIK3CB | |
| SCHEMBL29133745 | 0.77 | HTT (0.50) | IRAK4KDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL29133739 | 0.77 | HTT (0.50) | IRAK4KDM4ELMNACYP1A2CYP3A4 | |
| SCHEMBL29133752 | 0.77 | HTT (0.36) | EGFRIRAK4LMNA | |
| SCHEMBL29133735 | 0.77 | HTT (0.36) | EGFRIRAK4LMNA |
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 |