Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 17/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 12/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29786174 | 0.92 | CXCR3 (0.35) | TRPA1CNR2OPRD1OPRK1OPRM1 | |
| SCHEMBL29786175 | 0.77 | TRPA1 (0.40) | TRPA1CNR2OPRD1OPRK1OPRM1 | |
| SCHEMBL29786171 | 0.76 | SMN1; SMN2 (0.40) | TRPA1OPRD1OPRK1OPRM1 | |
| SCHEMBL29786159 | 0.74 | TRPA1 (0.38) | TRPA1OPRD1OPRK1OPRM1 | |
| SCHEMBL29786156 | 0.69 | TRPA1 (0.38) | TRPA1CNR2 | |
| SCHEMBL29786162 | 0.68 | TRPA1 (0.36) | TRPA1CNR2OPRD1OPRK1OPRM1 | |
| SCHEMBL30017849 | 0.66 | TRPA1 (0.53) | TRPA1 | |
| SCHEMBL29786158 | 0.65 | TRPA1 (0.39) | TRPA1CNR2OPRD1OPRK1OPRM1 | |
| SCHEMBL31414997 | 0.63 | TRPA1 (0.54) | TRPA1 | |
| SCHEMBL26840521 | 0.63 | TRPA1 (0.54) | TRPA1 |
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-113248422-B | Chiral alpha-aza-arene quaternary carbon center compound, and preparation method and application thereof | 河南工业大学 | 2022-07-12 | — | — | CN | disclosed |