Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 6/20 | 0.54 |
| ▸ | MAP3K8 | P41279 | 4/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 6/20 | 0.44 |
| ▸ | SRC | P12931 | 3/20 | 0.44 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 3/20 | 0.43 |
| ▸ | CCNC | P24863 | 2/20 | 0.42 |
| ▸ | CDK8 | P49336 | 2/20 | 0.42 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.42 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133722 | 0.88 | MELK (0.54) | MELKMAP3K8PDPK1EGFRSRC | |
| SCHEMBL29133767 | 0.84 | EGFR (0.44) | MELKMAP3K8PDPK1EGFRSRC | |
| SCHEMBL29133731 | 0.83 | EGFR (0.63) | MAP3K8PDPK1EGFRSRCABL1 | |
| SCHEMBL29133710 | 0.82 | CYP1A2 (0.52) | EGFRSRCABL1FLT1KDR | |
| SCHEMBL29133717 | 0.82 | EGFR (0.50) | MAP3K8PDPK1EGFRSRCABL1 | |
| SCHEMBL29133738 | 0.81 | CCNC (0.47) | MAP3K8PDPK1EGFRSRCABL1 | |
| SCHEMBL29133761 | 0.81 | EGFR (0.51) | MAP3K8PDPK1EGFRSRCABL1 | |
| SCHEMBL29133724 | 0.81 | MAP2K1 (0.48) | MAP3K8PDPK1EGFRPRKDC | |
| SCHEMBL29133766 | 0.79 | CCNC (0.57) | MAP3K8PDPK1EGFRSRCABL1 | |
| SCHEMBL29133770 | 0.79 | PIK3CA (0.54) | EGFRSRCABL1FLT1KDR |
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 |