Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 4/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.37 |
| ▸ | RARB | P10826 | 2/20 | 0.36 |
| ▸ | BRS3 | P32247 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.34 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30847840 | 0.81 | HSD11B1 (0.39) | HSD11B1SPHK1RARBBRS3MEN1 | |
| SCHEMBL30847825 | 0.76 | HSD11B1 (0.42) | HSD11B1RARBBRS3MEN1KMT2A | |
| SCHEMBL30847738 | 0.75 | SPHK1 (0.41) | HSD11B1SPHK1RARBMEN1KMT2A | |
| SCHEMBL30847753 | 0.75 | RARB (0.40) | HSD11B1SPHK1RARBMEN1KMT2A | |
| SCHEMBL30684865 | 0.68 | HSD11B1 (0.56) | HSD11B1RARBBRS3CYP3A4 | |
| SCHEMBL28829436 | 0.68 | HSD11B1 (0.56) | HSD11B1RARBBRS3CYP3A4 | |
| SCHEMBL30847866 | 0.68 | HSD11B1 (0.44) | HSD11B1SPHK1RARBBRS3 | |
| SCHEMBL7950472 | 0.67 | HSD11B1 (0.39) | HSD11B1RARBBRS3MEN1KMT2A | |
| SCHEMBL11512580 | 0.66 | HSD11B1 (0.62) | HSD11B1RARBBRS3MEN1KMT2A | |
| SCHEMBL28651674 | 0.65 | ALDH1A1 (0.50) | HSD11B1RARBBRS3CYP3A4 |
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-117843568-A | Aralkyl substituted-1-methylquinoline quaternary ammonium salt derivative and preparation method and application thereof | 中国药科大学 | 2024-04-09 | — | — | CN | disclosed |