Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | CCNC | P24863 | 2/20 | 0.41 |
| ▸ | CDK8 | P49336 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.40 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 5/20 | 0.40 |
| ▸ | PRKDC | P78527 | 4/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133790 | 0.93 | EGFR (0.42) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL29133710 | 0.82 | CYP1A2 (0.52) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL24576702 | 0.80 | EGFR (0.63) | ALDH1A1MAPK1MAP3K8EGFRPRKDC | |
| SCHEMBL29133738 | 0.78 | CCNC (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL29133731 | 0.77 | EGFR (0.63) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL29133709 | 0.77 | EGFR (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL29133741 | 0.77 | EGFR (0.66) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL29133767 | 0.77 | EGFR (0.44) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL29133717 | 0.76 | EGFR (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL29133761 | 0.76 | EGFR (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 |
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 |