Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARK7 | Q99497 | 4/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23764705 | 0.90 | PARK7 (0.42) | PARK7CHRM5TRPA1NSD2ALDH1A1 | |
| SCHEMBL23764615 | 0.86 | PARK7 (0.42) | PARK7CHRM5TRPA1NSD2ALDH1A1 | |
| SCHEMBL23764650 | 0.86 | PARK7 (0.41) | PARK7CHRM5TRPA1NSD2ALDH1A1 | |
| SCHEMBL23764711 | 0.83 | CHRM5 (0.47) | CHRM5 | |
| SCHEMBL23764644 | 0.82 | PARK7 (0.43) | PARK7CHRM5TRPA1NSD2ALDH1A1 | |
| SCHEMBL23764660 | 0.81 | PARK7 (0.51) | PARK7CHRM5TRPA1NSD2ALDH1A1 | |
| SCHEMBL23764761 | 0.80 | PARK7 (0.41) | PARK7CHRM5TRPA1NSD2ALDH1A1 | |
| SCHEMBL23764619 | 0.79 | PARK7 (0.43) | PARK7CHRM5TRPA1NSD2ALDH1A1 | |
| SCHEMBL23764688 | 0.79 | PARK7 (0.54) | PARK7CHRM5TRPA1NSD2ALDH1A1 | |
| SCHEMBL23764669 | 0.77 | PARK7 (0.40) | PARK7CHRM5TRPA1NSD2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021162650-A1 | 5-FLUORO/5-TRIFLUOROMETHOXY-1H-INDOLE-2,3-DIONE 3-(4-PHENYLTHIOSEMICARBAZONE) DERIVATIVES AS INTERLEUKIN 1 (IL-1) ANTAGONISTS AND ANTI-PYRETIC AND/OR ANTI-INFLAMMATORY AGENTS FOR USE IN TREATING E.G. BEHÇET'S DISEASE | ISTANBUL UNIVERSITESI (TR) | 2021-08-19 | — | — | WO | disclosed |