Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | CASP4 | P49662 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP9 | P55211 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5675185 | 0.88 | SNCA (0.48) | ALDH1A1SMN1; SMN2GAAL3MBTL1SNCA | |
| SCHEMBL30767224 | 0.71 | GRIA1 (0.38) | SMN1; SMN2GAATDP1TSHRMAPT | |
| SCHEMBL9304911 | 0.71 | SNCA (0.47) | ALDH1A1SMN1; SMN2GAAL3MBTL1SNCA | |
| Iodide SCHEMBL11686704 | 0.71 | SNCA (0.41) | ALDH1A1SMN1; SMN2GAAL3MBTL1SNCA | |
| SCHEMBL27888371 | 0.70 | ESPL1 (0.43) | ALDH1A1SMN1; SMN2GAAL3MBTL1SNCA | |
| SCHEMBL30867072 | 0.69 | SNCA (0.70) | ALDH1A1GAAL3MBTL1SNCACASP1 | |
| SCHEMBL6537456 | 0.69 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2GAAL3MBTL1HTT | |
| SCHEMBL5386491 | 0.69 | CASP1 (0.48) | ALDH1A1SMN1; SMN2GAAL3MBTL1HTT | |
| SCHEMBL29214118 | 0.69 | SNCA (0.70) | ALDH1A1GAAL3MBTL1SNCACASP1 | |
| SCHEMBL4611589 | 0.69 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2GAAL3MBTL1HTT |
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-107216293-A | A kind of O-VANILLIN derivative and its preparation method and application | 河南理工大学 | 2017-09-29 | — | — | CN | disclosed |