Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | 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 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL7167505 | 0.86 | TRPA1 (0.31) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL8782174 | 0.80 | — | — | |
| SCHEMBL484284 | 0.80 | — | — | |
| SCHEMBL6889829 | 0.78 | TRPA1 (0.32) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL8469463 | 0.75 | — | — | |
| SCHEMBL241846 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5912673 | 0.65 | TRPA1 (0.44) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL3768554 | 0.65 | — | — | |
| SCHEMBL6695625 | 0.63 | TRPA1 (0.36) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL1993849 | 0.63 | TRPA1 (0.36) | TRPA1ALDH1A1CYP3A4HPGDALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110301099-A1 | Method for enhancing penetration of lipid insoluble medicaments through cell membranes using small S-Allyl-containing molecules with phospholipid permeability as carrier molecules | HENG MADALENE CHOON YING (US) | 2011-12-08 | — | — | US | disclosed |