Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 2/20 | 0.67 |
| ▸ | ACACA | Q13085 | 2/20 | 0.67 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.60 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.56 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CRYAB | P02511 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 2/20 | 0.37 |
| ▸ | EP300 | Q09472 | 1/20 | 0.37 |
| ▸ | CRYAA | P02489 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12634185 | 1.00 | ACLY (0.67) | ACLYACACAPTPN11HSD11B1HSD11B2 | |
| SCHEMBL13420288 | 0.88 | ACLY (0.70) | ACLYACACAPTPN11HSD11B1HSD11B2 | |
| SCHEMBL13420286 | 0.87 | ACLY (0.68) | ACLYACACAPTPN11HSD11B1HSD11B2 | |
| Cyclolaudenol (24S) SCHEMBL3191608 | 0.87 | ACLY (0.67) | ACLYACACAPTPN11HSD11B1HSD11B2 | |
| Cyclolaudenol (24S) SCHEMBL679913 | 0.87 | ACLY (0.67) | ACLYACACAPTPN11HSD11B1HSD11B2 | |
| Cycloartanol SCHEMBL1881613 | 0.86 | ACLY (0.67) | ACLYACACAPTPN11HSD11B1HSD11B2 | |
| Cycloartanol SCHEMBL13324286 | 0.86 | ACLY (0.67) | ACLYACACAPTPN11HSD11B1HSD11B2 | |
| Cycloartanol SCHEMBL1881616 | 0.86 | ACLY (0.67) | ACLYACACAPTPN11HSD11B1HSD11B2 | |
| Cycloartanol SCHEMBL12152356 | 0.86 | ACLY (0.67) | ACLYACACAPTPN11HSD11B1HSD11B2 | |
| Cycloartanol SCHEMBL455049 | 0.86 | ACLY (0.67) | ACLYACACAPTPN11HSD11B1HSD11B2 |
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-111690591-B | Diuretic active drug cell screening model and establishment method and application thereof | 贵州中医药大学 | 2022-03-15 | — | — | CN | disclosed |