Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 2/20 | 0.47 |
| ▸ | CDK8 | P49336 | 2/20 | 0.47 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.47 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 8/20 | 0.45 |
| ▸ | SRC | P12931 | 3/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133767 | 0.89 | EGFR (0.44) | CCNCCDK8CDKN1ACDK19EGFR | |
| SCHEMBL29133710 | 0.87 | CYP1A2 (0.52) | CCNCCDK8CDKN1ACDK19EGFR | |
| SCHEMBL29133703 | 0.85 | EGFR (0.44) | CCNCCDK8CDKN1ACDK19EGFR | |
| SCHEMBL29133717 | 0.85 | EGFR (0.50) | CCNCCDK8CDKN1ACDK19EGFR | |
| SCHEMBL29133761 | 0.84 | EGFR (0.51) | CCNCCDK8CDKN1ACDK19EGFR | |
| SCHEMBL29133731 | 0.84 | EGFR (0.63) | CCNCCDK8CDKN1ACDK19EGFR | |
| SCHEMBL29133770 | 0.82 | PIK3CA (0.54) | EGFRSRCABL1FLT1KDR | |
| SCHEMBL29133741 | 0.82 | EGFR (0.66) | CCNCCDK8CDKN1ACDK19EGFR | |
| SCHEMBL29133722 | 0.81 | MELK (0.54) | CCNCCDK8CDKN1ACDK19EGFR | |
| SCHEMBL29133698 | 0.81 | MELK (0.54) | CCNCCDK8CDKN1ACDK19EGFR |
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 |