Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 4/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.34 |
| ▸ | OXTR | P30559 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.33 |
| ▸ | BRS3 | P32247 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL30847790 | 0.99 | HSD11B1 (0.41) | HSD11B1RARBNISCHHRH3AVPR2 | |
| SCHEMBL30847825 | 0.79 | HSD11B1 (0.42) | HSD11B1RARBNISCHHRH3BRS3 | |
| SCHEMBL16390633 | 0.77 | HSD11B1 (0.38) | HSD11B1RARBNISCHHRH3ALDH1A1 | |
| SCHEMBL30847840 | 0.76 | HSD11B1 (0.39) | HSD11B1RARBALDH1A1BRS3CA1 | |
| SCHEMBL31711451 | 0.75 | HTR7 (0.46) | — | |
| SCHEMBL30847887 | 0.75 | HSD11B1 (0.46) | HSD11B1RARBNISCHHRH3AVPR2 | |
| SCHEMBL30847763 | 0.73 | HRH3 (0.43) | HSD11B1RARBNISCHHRH3ALDH1A1 | |
| SCHEMBL30847749 | 0.73 | HSD11B1 (0.40) | HSD11B1RARBNISCHHRH3ALDH1A1 | |
| SCHEMBL28829436 | 0.71 | HSD11B1 (0.56) | HSD11B1RARBNISCHALDH1A1BRS3 | |
| SCHEMBL30684865 | 0.71 | HSD11B1 (0.56) | HSD11B1RARBNISCHALDH1A1BRS3 |
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 |