Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KDM5C | P41229 | 1/20 | 0.33 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.33 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL25330006 | 0.97 | CA1 (0.38) | CA1CA2GLRA1SLC6A9OR51E2 | |
| SCHEMBL29173783 | 0.91 | TERT (0.37) | CA1CA2GLRA1SLC6A9OR51E2 | |
| SCHEMBL27189681 | 0.91 | TERT (0.37) | CA1CA2GLRA1SLC6A9OR51E2 | |
| SCHEMBL3074874 | 0.89 | CA2 (0.44) | CA1CA2GLRA1SLC6A9OR51E2 | |
| SCHEMBL9979146 | 0.88 | ALDH1A1 (0.50) | AOC3ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL18160754 | 0.81 | CA2 (0.40) | CA1CA2GLRA1SLC6A9OR51E2 | |
| SCHEMBL29398784 | 0.80 | CYP2D6 (0.42) | MMP2ALDH1A1CYP2D6CYP2C19KDM4E | |
| SCHEMBL4047411 | 0.80 | CYP2D6 (0.45) | ALDH1A1CYP2D6CYP2C19MEN1KMT2A | |
| SCHEMBL19776089 | 0.79 | CA2 (0.39) | CA1CA2GLRA1SLC6A9OR51E2 | |
| SCHEMBL16853212 | 0.78 | ALDH1A1 (0.55) | CA1CA2ALDH1A1MEN1KMT2A |
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-115835860-A | Novel analogues of pterostilbene amino acids with carbonate for the treatment of non-alcoholic fatty liver disease and non-alcoholic steatohepatitis | 树顶分子生技股份有限公司 | 2023-03-21 | — | — | CN | disclosed |