Known targets — ChEMBL curated mechanism
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
| ▸ | MDM4 | O15151 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | SLC25A21 | Q9BQT8 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
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 SCHEMBL28365808 | 0.82 | ALOX5 (0.55) | ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4 | |
| Diallyl Sulfide SCHEMBL27594427 | 0.78 | ALOX5 (0.65) | ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4 | |
| Diallyl Sulfide SCHEMBL4346718 | 0.76 | — | — | |
| Diallyl Sulfide SCHEMBL45800 | 0.76 | — | — | |
| Diallyl Sulfide SCHEMBL14764035 | 0.76 | ALOX5 (1.00) | ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4 | |
| Diallyl Sulfide SCHEMBL23070593 | 0.76 | ALOX5 (0.61) | ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4 | |
| Silver SCHEMBL11396170 | 0.75 | — | — | |
| Diallyl Sulfide SCHEMBL27447448 | 0.74 | ALOX5 (0.58) | ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4 | |
| Succinic Acid SCHEMBL27363512 | 0.74 | ALOX5 (0.58) | ALOX5SMN1; SMN2TRPA1ALDH1A1CYP3A4 | |
| Diallyl Sulfide SCHEMBL8825985 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104667077-A | Tendon-relaxing and collateral-dredging ointment for treating acute soft tissue injuries and preparation method of ointment | CHEN ZHIJIAN | 2015-06-03 | — | — | CN | disclosed |
| CN-104667076-A | Tendon-relaxing and collateral-dredging medicinal wine for treating acute soft tissue injuries | CHEN ZHIJIAN | 2015-06-03 | — | — | CN | disclosed |