Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL29786162 | 0.86 | TRPA1 (0.36) | TRPA1GRIN1GRIN2AGRIN2BHDAC4 | |
| SCHEMBL29786175 | 0.84 | TRPA1 (0.40) | TRPA1GRIN1GRIN2AGRIN2BOPRM1 | |
| SCHEMBL29786159 | 0.66 | TRPA1 (0.38) | TRPA1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL31414997 | 0.65 | TRPA1 (0.54) | TRPA1GRIN2BESR1PGRHTR2A | |
| SCHEMBL26840521 | 0.65 | TRPA1 (0.54) | TRPA1GRIN2BESR1PGRHTR2A | |
| SCHEMBL29786181 | 0.65 | TRPA1 (0.37) | TRPA1OPRM1OPRD1OPRK1CNR2 | |
| SCHEMBL30017849 | 0.65 | TRPA1 (0.53) | TRPA1ESR1PGRHTR2ASLC6A3 | |
| SCHEMBL29730766 | 0.60 | GRIN1 (0.51) | GRIN1GRIN2AGRIN2BOPRM1OPRD1 | |
| SCHEMBL29791494 | 0.59 | GRIN1 (0.46) | GRIN1GRIN2AGRIN2BOPRM1OPRD1 | |
| SCHEMBL13447345 | 0.59 | GRIN1 (0.54) | GRIN1GRIN2AGRIN2BOPRM1OPRD1 |
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 |