Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Diallyl Sulfide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | MDM4 | O15151 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | SLC25A21 | Q9BQT8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Diallyl Sulfide SCHEMBL45800 | 0.78 | — | — | |
| Diallyl Sulfide SCHEMBL4346718 | 0.78 | — | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.78 | ALOX5 (1.00) | ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4 | |
| Diallyl Sulfide SCHEMBL8825985 | 0.76 | — | — | |
| Diallyl Sulfide SCHEMBL9280151 | 0.75 | — | — | |
| Diallyl Sulfide SCHEMBL5912153 | 0.75 | — | — | |
| Diallyl Sulfide SCHEMBL11665328 | 0.75 | — | — | |
| Diallyl Sulfide SCHEMBL5175822 | 0.75 | — | — | |
| Diallyl Sulfide SCHEMBL4560172 | 0.75 | — | — | |
| Diallyl Sulfide SCHEMBL7130288 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111334362-A | Long-life industrial robot lubricating grease and preparation method and application thereof | 郑州市欧普士科技有限公司 | 2020-06-26 | — | — | CN | claimed |
| CN-106520319-A | Lubricant composition for hafnium alloy spinning machining process | 广西大学 | 2017-03-22 | — | — | CN | claimed |
| CN-111334362-A | Long-life industrial robot lubricating grease and preparation method and application thereof | 郑州市欧普士科技有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-106520319-A | Lubricant composition for hafnium alloy spinning machining process | 广西大学 | 2017-03-22 | — | — | CN | disclosed |