Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1L1 | Q9UHC9 | 2/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | OSBP | P22059 | 1/20 | 0.52 |
| ▸ | OSBP2 | Q969R2 | 1/20 | 0.52 |
| ▸ | CDC25A | P30304 | 2/20 | 0.51 |
| ▸ | CDC25B | P30305 | 1/20 | 0.51 |
| ▸ | INPP5D | Q92835 | 1/20 | 0.51 |
| ▸ | ST6GAL1 | P15907 | 1/20 | 0.50 |
| ▸ | FNTA | P49354 | 1/20 | 0.48 |
| ▸ | FNTB | P49356 | 1/20 | 0.48 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.48 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16226436 | 0.92 | NPC1L1 (0.66) | NPC1L1PTPN1CYP2D6CYP2C19OSBP | |
| SCHEMBL16225645 | 0.92 | NPC1L1 (0.66) | NPC1L1PTPN1CYP2D6CYP2C19OSBP | |
| SCHEMBL7117470 | 0.92 | NPC1L1 (0.66) | NPC1L1PTPN1CYP2D6CYP2C19OSBP | |
| SCHEMBL7117472 | 0.92 | NPC1L1 (0.66) | NPC1L1PTPN1CYP2D6CYP2C19OSBP | |
| SCHEMBL16225777 | 0.92 | NPC1L1 (0.66) | NPC1L1PTPN1CYP2D6CYP2C19OSBP | |
| SCHEMBL16226011 | 0.92 | NPC1L1 (0.66) | NPC1L1PTPN1CYP2D6CYP2C19OSBP | |
| SCHEMBL25336215 | 0.90 | NPC1L1 (0.53) | NPC1L1PTPN1CYP2D6CYP2C19OSBP | |
| SCHEMBL25336159 | 0.90 | NPC1L1 (0.53) | NPC1L1PTPN1CYP2D6CYP2C19OSBP | |
| SCHEMBL25335717 | 0.88 | NPC1L1 (0.52) | NPC1L1PTPN1CYP2D6CYP2C19OSBP | |
| SCHEMBL25337771 | 0.86 | OSBP (0.70) | NPC1L1PTPN1OSBPOSBP2GRIN1 |
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-2023143399-A1 | STEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 珂阑(上海)医药科技有限公司 | 2023-08-03 | — | — | WO | disclosed |