Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 1.00 |
| ▸ | CA9 | Q16790 | 5/20 | 1.00 |
| ▸ | CA1 | P00915 | 4/20 | 1.00 |
| ▸ | CA7 | P43166 | 2/20 | 1.00 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.80 |
| ▸ | HPGD | P15428 | 5/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.80 |
| ▸ | CASP1 | P29466 | 4/20 | 0.80 |
| ▸ | CASP7 | P55210 | 4/20 | 0.80 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.80 |
| ▸ | GAA | P10253 | 3/20 | 0.78 |
| ▸ | GLA | P06280 | 2/20 | 0.78 |
| ▸ | MEN1 | O00255 | 2/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.78 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.78 |
| ▸ | STAT6 | P42226 | 1/20 | 0.78 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.77 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| Scopolin SCHEMBL1674804 | 1.00 | CA12 (1.00) | CA12CA9CA1CA7CA13 | |
| Scopolin SCHEMBL6260522 | 1.00 | CA12 (1.00) | CA12CA9CA1CA7CA13 | |
| Scopolin SCHEMBL14296928 | 1.00 | CA12 (1.00) | CA12CA9CA1CA7CA13 | |
| Esculin SCHEMBL9754358 | 0.90 | HPGD (0.88) | CA12CA9CA1CA7CA13 | |
| SCHEMBL15745927 | 0.89 | CA12 (0.80) | CA12CA9CA1CA7CA13 | |
| Daphnorin SCHEMBL30616024 | 0.87 | TDP1 (1.00) | CA12CA9CA1CA7CA13 | |
| Esculin SCHEMBL2893 | 0.87 | ALDH1A1 (1.00) | CA12CA9CA1CA7CA13 | |
| Esculin SCHEMBL19756246 | 0.87 | ALDH1A1 (1.00) | CA12CA9CA1CA7CA13 | |
| Esculin SCHEMBL8183298 | 0.87 | ALDH1A1 (1.00) | CA12CA9CA1CA7CA13 | |
| Esculin SCHEMBL8035285 | 0.87 | ALDH1A1 (1.00) | CA12CA9CA1CA7CA13 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117736251-A | Coumarin glycoside, preparation method thereof, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-03-22 | — | — | CN | disclosed |
| CN-116589440-B | Synthesis method of methyl esculetin sodium acetate | 峰成医药科技(天津)有限公司 | 2023-09-19 | — | — | CN | disclosed |
| CN-116589440-A | Synthesis method of methyl esculetin sodium acetate | 峰成医药科技(天津)有限公司 | 2023-08-15 | — | — | CN | disclosed |
| CN-109689077-B | Novel use and method | 纳图瑞克斯有限公司 | 2023-03-07 | — | — | CN | disclosed |
| US-20160174603-A1 | Electronic Vapor Liquid Composition and Method of Use | INNOVATIVE HERBAL BLENDS, LLC | 2016-06-23 | — | — | US | disclosed |