Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 SCHEMBL25328852 | 0.98 | CA2 (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL20472112 | 0.92 | CA2 (0.35) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9795107 | 0.84 | CA2 (0.40) | TSHRCA2CA1NPC1USP2 | |
| SCHEMBL31050436 | 0.84 | ALDH1A1 (0.42) | — | |
| SCHEMBL2249679 | 0.83 | CHRM2 (0.41) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6037070 | 0.83 | CA2 (0.39) | LMNATSHRCA2CA1NPC1 | |
| SCHEMBL25282552 | 0.83 | ALDH1A1 (0.48) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL25439321 | 0.81 | CHRM2 (0.38) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL27520156 | 0.81 | FAAH (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8496243 | 0.79 | CA2 (0.41) | LMNATSHRCYP2C19CA2CA1 |
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 |