Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 8/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 6/20 | 0.38 |
| ▸ | EGFR | P00533 | 3/20 | 0.38 |
| ▸ | PRKDC | P78527 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 3/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
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 | 0.88 | MAP4K4 (0.42) | DYRK1AEGFRPRKDCPIK3CAKDR | |
| SCHEMBL29133763 | 0.87 | MELK (0.38) | EGFRPRKDCPIK3CAKDRSRC | |
| SCHEMBL29133729 | 0.86 | EGFR (0.52) | DYRK1ADYRK1BEGFRPRKDCPIK3CA | |
| SCHEMBL29133713 | 0.85 | EGFR (0.44) | ATMATREGFRPRKDCPIK3CA | |
| SCHEMBL29133769 | 0.84 | PIK3CA (0.46) | KCNH2PIK3CA | |
| SCHEMBL29133758 | 0.84 | EGFR (0.42) | DYRK1ADYRK1BEGFRPRKDCPIK3CA | |
| SCHEMBL29133701 | 0.84 | PIK3CA (0.38) | ATMKCNH2EGFRPRKDCPIK3CA | |
| SCHEMBL29133718 | 0.83 | MELK (0.49) | DYRK1AEGFR | |
| SCHEMBL29133697 | 0.83 | MELK (0.49) | EGFRPRKDC | |
| SCHEMBL29133779 | 0.82 | EGFR (0.41) | EGFRSRC |
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 |