Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 2/20 | 0.45 |
| ▸ | ACACA | Q13085 | 2/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.32 |
| ▸ | EBP | Q15125 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL29935051 | 0.81 | HSD11B1 (0.47) | ACLYACACAHSD11B1PTPN11PTGS1 | |
| SCHEMBL29510985 | 0.78 | ACLY (0.67) | ACLYACACAHSD11B1PTPN11PTGS1 | |
| SCHEMBL12634185 | 0.78 | ACLY (0.67) | ACLYACACAHSD11B1PTPN11PTGS1 | |
| SCHEMBL1874653 | 0.72 | ACLY (0.48) | ACLYACACAHSD11B1PTPN11PTGS1 | |
| SCHEMBL31672687 | 0.72 | ACLY (0.61) | ACLYACACAHSD11B1PTPN11PTGS1 | |
| SCHEMBL300737 | 0.70 | ACLY (0.48) | ACLYACACAHSD11B1PTPN11EBP | |
| SCHEMBL1050397 | 0.70 | ACLY (0.48) | ACLYACACAHSD11B1PTPN11EBP | |
| SCHEMBL13642569 | 0.70 | ACLY (0.52) | ACLYACACAHSD11B1PTPN11PTGS1 | |
| SCHEMBL31672688 | 0.70 | EBP (0.51) | ACLYACACAHSD11B1PTPN11HSD11B2 | |
| Cycloeucalenol SCHEMBL569261 | 0.70 | HSD11B1 (0.54) | ACLYACACAHSD11B1PTPN11PTGS1 |
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 |