Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 8/20 | 0.37 |
| ▸ | PRKDC | P78527 | 4/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.35 |
| ▸ | SRC | P12931 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 3/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133737 | 0.90 | MAP4K4 (0.42) | MELKEGFRPRKDCPIK3CAIRAK4 | |
| SCHEMBL29133701 | 0.88 | PIK3CA (0.38) | MELKEGFRPRKDCPIK3CAIRAK4 | |
| SCHEMBL29133706 | 0.87 | ATM (0.40) | EGFRPRKDCPIK3CASRCABL1 | |
| SCHEMBL29133697 | 0.86 | MELK (0.49) | MELKEGFRPRKDCJAK1 | |
| SCHEMBL29133718 | 0.86 | MELK (0.49) | MELKEGFRERBB2 | |
| SCHEMBL29133758 | 0.85 | EGFR (0.42) | MELKEGFRPRKDCPIK3CASRC | |
| SCHEMBL29133729 | 0.85 | EGFR (0.52) | MELKEGFRPRKDCPIK3CAIRAK4 | |
| SCHEMBL29133713 | 0.84 | EGFR (0.44) | EGFRPRKDCPIK3CASRCABL1 | |
| SCHEMBL29133769 | 0.84 | PIK3CA (0.46) | PIK3CA | |
| SCHEMBL29133757 | 0.83 | EGFR (0.55) | MELKEGFRPRKDCPIK3CASRC |
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 |