Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | CDC25A | P30304 | 10/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30847887 | 0.80 | HSD11B1 (0.46) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| Iodide SCHEMBL30847814 | 0.76 | HSD11B1 (0.45) | NR1H2NR1H3ALDH1A1CDC25ACES1 | |
| SCHEMBL30847698 | 0.75 | HSD11B1 (0.46) | NR1H2NR1H3ALDH1A1CDC25ACES1 | |
| Iodide SCHEMBL30847673 | 0.72 | GABRA1 (0.36) | ALDH1A1 | |
| SCHEMBL2701240 | 0.71 | LIPG (0.50) | NR1H2NR1H3LIPGCYP2D6 | |
| Iodide SCHEMBL27878012 | 0.67 | CES1 (0.34) | ALDH1A1ALDH2ALDH3A1CES1 | |
| SCHEMBL1024526 | 0.66 | LIPG (0.59) | NR1H2NR1H3LIPG | |
| SCHEMBL29520482 | 0.65 | LIPG (0.56) | NR1H2NR1H3LIPGCYP2D6 | |
| SCHEMBL245188 | 0.65 | LIPG (0.56) | NR1H2NR1H3LIPGCYP2D6 | |
| SCHEMBL29738286 | 0.65 | CES1 (0.35) | ALDH1A1ALDH2ALDH3A1CES1 |
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 |