Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.68 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.68 |
| ▸ | CA2 | P00918 | 1/20 | 0.68 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.68 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.68 |
| ▸ | ITGAL | P20701 | 1/20 | 0.68 |
| ▸ | CA4 | P22748 | 1/20 | 0.68 |
| ▸ | CA6 | P23280 | 1/20 | 0.68 |
| ▸ | ADK | P55263 | 1/20 | 0.68 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Indole SCHEMBL2884198 | 0.92 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28274753 | 0.90 | TRPA1 (0.71) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28216501 | 0.88 | AHR (0.68) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL29009234 | 0.86 | AHR (0.65) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL6791278 | 0.85 | AHR (0.85) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28087941 | 0.85 | AHR (0.63) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL15641723 | 0.85 | TRPA1 (0.63) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL5205084 | 0.83 | TRPA1 (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28665753 | 0.83 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL27631042 | 0.83 | TRPA1 (0.74) | AHRTRPA1CA1CA2ITGB2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109384702-A | A kind of preparation method of N- dithiocarbamate Benzazole compounds | 温州医科大学 | 2019-02-26 | — | — | CN | claimed |
| CN-117210831-A | Preparation method of imidazopyridine-3-dimethylamino disulfate compound | 上海陶术生物科技有限公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-113880806-B | 2-amino-4-oxo-quinazoline dithiocarbamate derivative, and pharmaceutical composition and application thereof | 深圳大学 | 2022-09-13 | — | — | CN | disclosed |
| CN-113880806-A | 2-amino-4-oxo-quinazoline dithio formate derivative, and pharmaceutical composition and application thereof | 深圳大学 | 2022-01-04 | — | — | CN | disclosed |
| CN-109384702-B | Preparation method of N-dithiocarbamate indole compound | 温州医科大学 | 2020-08-25 | — | — | CN | disclosed |
| CN-109384702-A | A kind of preparation method of N- dithiocarbamate Benzazole compounds | 温州医科大学 | 2019-02-26 | — | — | CN | disclosed |