Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.50 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16946760 | 0.84 | CYP17A1 (0.50) | CYP17A1PTPN11PSMB8NAMPTCA12 | |
| SCHEMBL28098568 | 0.83 | SMN1; SMN2 (0.56) | CA12CA1CA9MAPTCA2 | |
| SCHEMBL4132208 | 0.83 | CYP17A1 (0.56) | CYP17A1PTPN11PSMB8NAMPTCA12 | |
| SCHEMBL13055402 | 0.83 | CYP17A1 (0.59) | CYP17A1PTPN11PSMB8NAMPTCA12 | |
| SCHEMBL30552299 | 0.82 | NAMPT (0.53) | CYP17A1PTPN11PSMB8NAMPTCA12 | |
| SCHEMBL5106835 | 0.82 | CYP17A1 (0.54) | CYP17A1PTPN11PSMB8NAMPTCA12 | |
| SCHEMBL433863 | 0.81 | ELANE (0.44) | CA12CA1CA9MAPTCA2 | |
| SCHEMBL254714 | 0.81 | PTPN11 (0.51) | CYP17A1PTPN11PSMB8NAMPTCA12 | |
| SCHEMBL13193491 | 0.81 | CYP17A1 (0.52) | CYP17A1PTPN11PSMB8NAMPTCA12 | |
| SCHEMBL18025366 | 0.81 | CYP17A1 (0.47) | CYP17A1PTPN11PSMB8NAMPTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023134673-A1 | HIGH-SELECTIVITY KCNQ4 POTASSIUM CHANNEL AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2023-07-20 | — | — | WO | disclosed |