Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL29786175 | 0.78 | TRPA1 (0.40) | TRPA1CNR2DDB1CRBN | |
| SCHEMBL29786171 | 0.75 | SMN1; SMN2 (0.40) | TRPA1DDB1CRBNRAB9ANPC1 | |
| SCHEMBL29786159 | 0.70 | TRPA1 (0.38) | TRPA1RAB9ANPC1NFKB1SMN1; SMN2 | |
| SCHEMBL29786181 | 0.69 | TRPA1 (0.37) | TRPA1CNR2 | |
| SCHEMBL30017849 | 0.66 | TRPA1 (0.53) | TRPA1DDB1CRBNNFKB1NFKB2 | |
| SCHEMBL28659625 | 0.64 | HTT (0.46) | CNR2RAB9ANPC1LMNA | |
| SCHEMBL31414997 | 0.64 | TRPA1 (0.54) | TRPA1DDB1CRBNNFKB1NFKB2 | |
| SCHEMBL29786158 | 0.63 | TRPA1 (0.39) | TRPA1CNR2KDM1AMAOAMAOB | |
| SCHEMBL9283554 | 0.62 | CNR1 (0.37) | CNR1CNR2FAAHLMNAHRH3 | |
| SCHEMBL22127183 | 0.60 | NCF1 (0.47) | RAB9ANPC1SMN1; SMN2KMT2ALMNA |
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 |