Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.31 |
| ▸ | SMO | Q99835 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29786158 | 0.86 | TRPA1 (0.39) | TRPA1GRIN2BOPRM1OPRD1OPRK1 | |
| SCHEMBL29786175 | 0.84 | TRPA1 (0.40) | TRPA1GRIN2BOPRM1OPRD1OPRK1 | |
| SCHEMBL29786181 | 0.68 | TRPA1 (0.37) | TRPA1OPRM1OPRD1OPRK1CNR2 | |
| SCHEMBL29786159 | 0.66 | TRPA1 (0.38) | TRPA1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL30017849 | 0.65 | TRPA1 (0.53) | TRPA1NR5A2 | |
| SCHEMBL29786156 | 0.63 | TRPA1 (0.38) | TRPA1NPC1RAB9ACNR2 | |
| SCHEMBL26840521 | 0.62 | TRPA1 (0.54) | TRPA1GRIN2BOPRL1NR5A2 | |
| SCHEMBL31414997 | 0.62 | TRPA1 (0.54) | TRPA1GRIN2BOPRL1NR5A2 | |
| SCHEMBL31335363 | 0.59 | CNR2 (0.41) | GRIN2BOPRM1OPRL1HSD11B1SLC6A2 | |
| SCHEMBL8148913 | 0.58 | TRPA1 (0.52) | TRPA1NR5A2 |
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 |