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 2)
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 | |
|---|---|---|---|---|
| SCHEMBL30847881 | 0.78 | ALDH1A1 (0.46) | CYP1A2HSD11B1 | |
| SCHEMBL11455070 | 0.78 | PDE10A (0.57) | CYP1A2 | |
| SCHEMBL28829434 | 0.74 | RARB (0.67) | HSD11B1 | |
| SCHEMBL5551587 | 0.74 | RARB (0.67) | HSD11B1 | |
| SCHEMBL22148323 | 0.73 | DYRK1A (0.51) | HSD11B1 | |
| Iodide SCHEMBL30847793 | 0.72 | HSD11B1 (0.43) | HSD11B1 | |
| SCHEMBL23319637 | 0.72 | RARB (0.60) | HSD11B1 | |
| SCHEMBL28065707 | 0.72 | TLR8 (0.53) | CYP1A2 | |
| SCHEMBL28900119 | 0.72 | RARB (0.64) | HSD11B1 | |
| SCHEMBL2157107 | 0.72 | CYP1A2 (0.53) | CYP1A2 |
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 |