Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29786175 | 0.78 | TRPA1 (0.40) | TRPA1OPRL1ALDH1A1HTTOPRD1 | |
| SCHEMBL29786181 | 0.74 | TRPA1 (0.37) | TRPA1OPRD1OPRK1OPRM1 | |
| SCHEMBL29786156 | 0.70 | TRPA1 (0.38) | TRPA1NPC1LMNANFKB1RAB9A | |
| SCHEMBL29786174 | 0.68 | CXCR3 (0.35) | TRPA1NPSR1OPRD1OPRK1OPRM1 | |
| SCHEMBL29786171 | 0.68 | SMN1; SMN2 (0.40) | TRPA1MEN1NPC1ALDH1A1LMNA | |
| SCHEMBL30017849 | 0.66 | TRPA1 (0.53) | TRPA1MEN1ALDH1A1LMNAPKM | |
| SCHEMBL29786158 | 0.66 | TRPA1 (0.39) | TRPA1OPRL1GSK3BOPRD1OPRK1 | |
| SCHEMBL29786162 | 0.66 | TRPA1 (0.36) | TRPA1OPRL1GSK3BNPC1HTT | |
| SCHEMBL31414997 | 0.64 | TRPA1 (0.54) | TRPA1OPRL1MEN1ALDH1A1LMNA | |
| SCHEMBL26840521 | 0.64 | TRPA1 (0.54) | TRPA1OPRL1MEN1ALDH1A1LMNA |
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 |