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 | |
|---|---|---|---|---|
| SCHEMBL27832480 | 0.81 | TAS1R3 (0.30) | — | |
| Iodide SCHEMBL2288172 | 0.78 | SCNN1A (0.44) | — | |
| SCHEMBL27832473 | 0.76 | — | — | |
| SCHEMBL27812628 | 0.76 | — | — | |
| SCHEMBL11959307 | 0.76 | SCNN1A (0.45) | — | |
| SCHEMBL11959306 | 0.76 | SCNN1A (0.45) | — | |
| SCHEMBL12379726 | 0.76 | SCNN1A (0.45) | — | |
| SCHEMBL27832481 | 0.73 | MEN1 (0.33) | — | |
| Iodide SCHEMBL27832489 | 0.72 | — | — | |
| Bromide SCHEMBL27812267 | 0.72 | KCNH2 (0.35) | — |
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-102112130-A | Pyrazine derivatives as epithelial sodium channel blockers | NOVARTIS AG | 2011-06-29 | — | — | CN | disclosed |