Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 7/20 | 0.50 |
| ▸ | PRKDC | P78527 | 4/20 | 0.50 |
| ▸ | MTOR | P42345 | 5/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.47 |
| ▸ | SRC | P12931 | 3/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | CCNC | P24863 | 2/20 | 0.43 |
| ▸ | CDK8 | P49336 | 2/20 | 0.43 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.43 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.43 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133741 | 0.88 | EGFR (0.66) | EGFRPRKDCMTORPIK3CAPIK3CD | |
| SCHEMBL29133780 | 0.88 | PIK3CA (0.51) | EGFRPRKDCMTORPIK3CAPIK3CD | |
| SCHEMBL29133761 | 0.87 | EGFR (0.51) | EGFRPRKDCPIK3CASRCABL1 | |
| SCHEMBL29133731 | 0.87 | EGFR (0.63) | EGFRPRKDCPIK3CASRCABL1 | |
| SCHEMBL29133738 | 0.85 | CCNC (0.47) | EGFRPRKDCPIK3CASRCABL1 | |
| SCHEMBL29133770 | 0.84 | PIK3CA (0.54) | EGFRPRKDCMTORPIK3CAPIK3CD | |
| SCHEMBL29133709 | 0.84 | EGFR (0.49) | EGFRPRKDCPIK3CASRCABL1 | |
| SCHEMBL29133767 | 0.84 | EGFR (0.44) | EGFRPRKDCPIK3CASRCABL1 | |
| SCHEMBL29133702 | 0.84 | EGFR (0.49) | EGFRPRKDCMTORPIK3CAPIK3CD | |
| SCHEMBL29133710 | 0.84 | CYP1A2 (0.52) | EGFRPRKDCSRCABL1FLT1 |
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 |