Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.43 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KISS1R | Q969F8 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| 3-Methylbutanoic Acid SCHEMBL3217564 | 0.88 | TDP1 (0.58) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL609818 | 0.88 | TDP1 (0.58) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL43436 | 0.88 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL467274 | 0.88 | TDP1 (0.56) | TDP1ALDH1A1CACNA2D1CACNB3CACNA1C | |
| 3-Methylbutanoic Acid SCHEMBL1331498 | 0.88 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL3670028 | 0.87 | FFAR3 (0.54) | TDP1ALDH1A1SLC22A6ALOX15 | |
| 3-Methylbutanoic Acid SCHEMBL9185998 | 0.85 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8574420 | 0.85 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL8570892 | 0.85 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL6139482 | 0.85 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116987756-A | Method for detecting influence of wine body trace components on autophagy flux | 中国食品发酵工业研究院有限公司 | 2023-11-03 | — | — | CN | claimed |
| CN-116203002-A | Method for evaluating influence degree of different trace components in wine body on autophagy level | 青海互助天佑德青稞酒股份有限公司 | 2023-06-02 | — | — | CN | claimed |
| CN-115109832-A | Method for evaluating influence degree of wine body trace component level on alcohol metabolism | 中国食品发酵工业研究院有限公司 | 2022-09-27 | — | — | CN | claimed |
| CN-112592959-A | Method for rapidly evaluating influence degree of organic acid level on alcohol metabolism of Maotai-flavor liquor | 贵州国台酒业股份有限公司 | 2021-04-02 | — | — | CN | claimed |
| CN-116987756-A | Method for detecting influence of wine body trace components on autophagy flux | 中国食品发酵工业研究院有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-116203002-A | Method for evaluating influence degree of different trace components in wine body on autophagy level | 青海互助天佑德青稞酒股份有限公司 | 2023-06-02 | — | — | CN | disclosed |
| CN-112592959-A | Method for rapidly evaluating influence degree of organic acid level on alcohol metabolism of Maotai-flavor liquor | 贵州国台酒业股份有限公司 | 2021-04-02 | — | — | CN | disclosed |