Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.43 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GSDMD | P57764 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MGLL | Q99685 | 4/20 | 0.42 |
| ▸ | PHGDH | O43175 | 3/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29190751 | 0.87 | EHMT2 (0.39) | CA1CA2CA12CA9EHMT2 | |
| SCHEMBL15323 | 0.85 | CA12 (0.56) | CA1CA2CA12CA9EHMT2 | |
| SCHEMBL9665272 | 0.71 | TAS2R38 (0.53) | CA1CA2CA12CA9EHMT2 | |
| Sulfurous Acid SCHEMBL6057036 | 0.69 | CA1 (0.43) | CA1CA2HTTALDH1A1MAPT | |
| Sulfurous Acid SCHEMBL7689673 | 0.69 | CA1 (0.43) | CA1CA2HTTALDH1A1MAPT | |
| SCHEMBL11866934 | 0.69 | CA12 (0.57) | CA1CA2CA12CA9EHMT2 | |
| SCHEMBL9665479 | 0.69 | CA12 (0.46) | CA1CA2CA12CA9EHMT2 | |
| SCHEMBL7547953 | 0.69 | ALDH1A1 (0.45) | CA1CA2CA12CA9EHMT2 | |
| Sulfurous Acid SCHEMBL10483923 | 0.67 | — | — | |
| SCHEMBL689791 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115161672-B | Method for electrochemical synthesis of amino (dithioperoxy) thiocarboxylate compound | 广西师范大学 | 2024-04-16 | — | — | CN | disclosed |