Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOD1 | Q9Y239 | 7/20 | 0.57 |
| ▸ | NOD2 | Q9HC29 | 5/20 | 0.57 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 3/20 | 0.49 |
| ▸ | PPARD | Q03181 | 2/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8691689 | 0.88 | PPARG (0.52) | NOD1NOD2PPARGPPARDPPARA | |
| SCHEMBL28737041 | 0.87 | NOD1 (0.62) | NOD1NOD2ALDH3A1ALOX5PPARG | |
| SCHEMBL28073898 | 0.86 | NOD1 (0.57) | NOD1NOD2ALDH3A1ALOX5PPARG | |
| SCHEMBL7116279 | 0.86 | NOD1 (0.57) | NOD1NOD2ALDH3A1ALOX5PPARG | |
| SCHEMBL30647189 | 0.86 | NOD1 (0.57) | NOD1NOD2ALDH3A1ALOX5PPARG | |
| SCHEMBL6894989 | 0.86 | NOD1 (0.60) | NOD1NOD2ALDH3A1ALOX5PPARG | |
| SCHEMBL18416802 | 0.85 | PPARG (0.67) | NOD1NOD2ALDH3A1PPARGPPARD | |
| SCHEMBL28890855 | 0.84 | NOD1 (0.55) | NOD1NOD2ALDH3A1ALOX5PPARG | |
| SCHEMBL8829929 | 0.84 | NOD1 (0.58) | NOD1NOD2ALDH3A1ALOX5PPARG | |
| SCHEMBL1672682 | 0.83 | NOD1 (0.54) | NOD1NOD2ALDH3A1ALOX5PPARG |
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-105859557-A | Preparation method of alpha, beta-unsaturated carboxylate compound | 大连理工大学 | 2016-08-17 | — | — | CN | disclosed |