Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 SCHEMBL1449847 | 0.83 | CA12 (0.50) | CA12CA1CA2GLACA3 | |
| Diallyl Sulfide SCHEMBL11645334 | 0.83 | CA12 (0.50) | CA12CA1CA2GLACA3 | |
| Diallyl Sulfide SCHEMBL7949631 | 0.81 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Diallyl Sulfide SCHEMBL1979798 | 0.81 | CA12 (0.48) | CA12CA1CA2GLACA3 | |
| Diallyldisulfide SCHEMBL28956854 | 0.75 | ALDH1A1 (0.50) | CA12CA1CA2GLACA3 | |
| Diallyldisulfide SCHEMBL668587 | 0.75 | ALDH1A1 (0.50) | CA12CA1CA2GLACA3 | |
| Diallyl Sulfide SCHEMBL27472402 | 0.75 | ACHE (0.41) | CA12CA1CA2GLACA3 | |
| Allicin SCHEMBL28241139 | 0.75 | CA12 (0.37) | CA12CA1CA2GLACA3 | |
| Resorcinol SCHEMBL27991338 | 0.70 | CA12 (0.52) | CA12CA1CA2CA9TDP1 | |
| Phenol SCHEMBL11597390 | 0.68 | CA12 (0.58) | CA12CA1CA2GLACA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0473549-B1 | Sulfoxides of alkylthiomethylphenols | CIBA GEIGY AG (CH) | 1995-01-25 | — | — | EP | disclosed |
| EP-0473549-A1 | Sulfoxides of alkylthiomethylphenols | CIBA-GEIGY AG (CH) | 1992-03-04 | — | — | EP | disclosed |