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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL483009 | 0.97 | — | — | |
| SCHEMBL43202 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6539928 | 0.93 | — | — | |
| SCHEMBL27760482 | 0.85 | NQO1 (0.41) | — | |
| SCHEMBL11386826 | 0.85 | ALDH1A1 (0.39) | — | |
| Sulfuric Acid SCHEMBL14157154 | 0.85 | CA1 (0.35) | — | |
| Phosphonic Acid SCHEMBL5935338 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL11330986 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL27576809 | 0.83 | ALDH1A1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL30391190 | 0.79 | TP53 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0109023-A1 | Isoquinolinesulfonamide derivatives and process for the preparation thereof | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1984-05-23 | — | — | EP | disclosed |