Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 7/20 | 0.37 |
| ▸ | PRKDC | P78527 | 4/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | SRC | P12931 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | MELK | Q14680 | 3/20 | 0.33 |
| ▸ | TNF | P01375 | 3/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133763 | 0.88 | MELK (0.38) | PIK3CAIRAK4EGFRPRKDCSRC | |
| SCHEMBL29133737 | 0.88 | MAP4K4 (0.42) | PIK3CAPIK3CGIRAK4EGFRPRKDC | |
| SCHEMBL29133706 | 0.84 | ATM (0.40) | PIK3CAEGFRPRKDCSRCKDR | |
| SCHEMBL29133754 | 0.82 | IRAK4 (0.51) | PIK3CAPIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL29133758 | 0.82 | EGFR (0.42) | PIK3CAPIK3CDPIK3CBPIK3CGEGFR | |
| SCHEMBL29133729 | 0.82 | EGFR (0.52) | PIK3CAIRAK4EGFRPRKDCSRC | |
| SCHEMBL29133697 | 0.82 | MELK (0.49) | EGFRPRKDCMELK | |
| SCHEMBL29133713 | 0.82 | EGFR (0.44) | PIK3CAPIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL29133718 | 0.82 | MELK (0.49) | EGFRMELK | |
| SCHEMBL29133769 | 0.81 | PIK3CA (0.46) | PIK3CAPIK3CDPIK3CBMTORPIK3CG |
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 |