Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | RARB | P10826 | 9/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | RARA | P10276 | 2/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL30847763 | 0.89 | HRH3 (0.43) | HSD11B1RARBHRH3NISCHRARA | |
| SCHEMBL10670398 | 0.77 | CA12 (0.34) | HRH3MEN1MAPTKMT2A | |
| SCHEMBL30847753 | 0.75 | RARB (0.40) | HSD11B1RARBHRH3RARARARG | |
| SCHEMBL30847665 | 0.73 | HSD11B1 (0.42) | HSD11B1RARBHRH3NISCHALDH1A1 | |
| SCHEMBL30847825 | 0.73 | HSD11B1 (0.42) | HSD11B1RARBHRH3NISCHMEN1 | |
| Iodide SCHEMBL30847790 | 0.72 | HSD11B1 (0.41) | HSD11B1RARBHRH3NISCHALDH1A1 | |
| SCHEMBL28829434 | 0.71 | RARB (0.67) | HSD11B1RARBHRH3NISCHRARA | |
| SCHEMBL5551587 | 0.71 | RARB (0.67) | HSD11B1RARBHRH3NISCHRARA | |
| SCHEMBL2048604 | 0.69 | RARB (0.49) | HSD11B1RARBNISCHRARARARG | |
| SCHEMBL23319637 | 0.69 | RARB (0.60) | HSD11B1RARBHRH3NISCHRARA |
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 |