Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14535198 | 0.84 | TDP1 (0.61) | TDP1KEAP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL6698062 | 0.81 | TDP1 (0.52) | TDP1KEAP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL1608004 | 0.81 | TDP1 (0.52) | TDP1KEAP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL13291022 | 0.78 | TDP1 (0.48) | TDP1KEAP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL9450826 | 0.75 | KEAP1 (0.52) | TDP1KEAP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL9816528 | 0.74 | TDP1 (0.44) | TDP1KEAP1TSHRALDH1A1CYP3A4 | |
| Sulfuric Acid SCHEMBL10588282 | 0.72 | ALDH1A1 (0.55) | TDP1KEAP1TSHRALDH1A1CYP3A4 | |
| Sulfuric Acid SCHEMBL8070180 | 0.71 | KEAP1 (0.47) | TDP1KEAP1TSHRALDH1A1CYP3A4 | |
| SCHEMBL841689 | 0.71 | TDP1 (0.70) | TDP1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL990038 | 0.71 | TDP1 (0.70) | TDP1TSHRALDH1A1CYP3A4ALOX15 |
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-113896744-B | Selective EGFR inhibitor | 成都先导药物开发股份有限公司 | 2024-04-16 | — | — | CN | disclosed |