Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | USP2 | O75604 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PDE5A | O76074 | 2/20 | 0.46 |
| ▸ | CCNC | P24863 | 2/20 | 0.46 |
| ▸ | CDK8 | P49336 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133738 | 0.87 | CCNC (0.47) | CYP1A2CYP3A4ALDH1A1HSD17B10CLK4 | |
| SCHEMBL29133767 | 0.86 | EGFR (0.44) | CYP1A2CYP3A4ALDH1A1HSD17B10CLK4 | |
| SCHEMBL29133731 | 0.84 | EGFR (0.63) | CYP1A2CYP3A4ALDH1A1HSD17B10CLK4 | |
| SCHEMBL29133717 | 0.84 | EGFR (0.50) | CYP1A2CYP3A4ALDH1A1HSD17B10CLK4 | |
| SCHEMBL29133761 | 0.83 | EGFR (0.51) | CYP1A2CYP3A4ALDH1A1HSD17B10CLK4 | |
| SCHEMBL29133770 | 0.82 | PIK3CA (0.54) | EGFRSRCABL1FLT1KDR | |
| SCHEMBL29133790 | 0.82 | EGFR (0.42) | CYP1A2CYP3A4ALDH1A1HSD17B10CLK4 | |
| SCHEMBL29133722 | 0.82 | MELK (0.54) | CCNCCDK8EGFRSRCABL1 | |
| SCHEMBL29133698 | 0.82 | MELK (0.54) | CCNCCDK8EGFRSRCABL1 | |
| SCHEMBL29133766 | 0.81 | CCNC (0.57) | LMNACCNCCDK8EGFRSRC |
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 |