Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.59 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.59 |
| ▸ | ITGAL | P20701 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | AHR | P35869 | 1/20 | 0.59 |
| ▸ | ADK | P55263 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 5/20 | 0.45 |
| ▸ | MAOA | P21397 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
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 SCHEMBL28372612 | 1.00 | TRPA1 (0.59) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28372037 | 0.98 | TRPA1 (0.57) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28372621 | 0.98 | TRPA1 (0.57) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28367631 | 0.98 | TRPA1 (0.61) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28372679 | 0.98 | TRPA1 (0.61) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28885657 | 0.97 | TRPA1 (0.59) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28372099 | 0.97 | TRPA1 (0.59) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28367865 | 0.92 | TRPA1 (0.53) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28274753 | 0.91 | TRPA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28367762 | 0.87 | TRPA1 (0.52) | TRPA1CA1CA2ITGB2ICAM1 |
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-110845413-B | Dithiocarbamate compounds and preparation method and application thereof | 华南农业大学 | 2021-04-23 | — | — | CN | disclosed |
| CN-110845413-A | Dithiocarbamate compounds and preparation method and application thereof | 华南农业大学 | 2020-02-28 | — | — | CN | disclosed |