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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8532172 | 0.75 | HIF1A (0.35) | — | |
| Iodide SCHEMBL8528382 | 0.67 | HIF1A (0.35) | — | |
| Iodide SCHEMBL8528209 | 0.67 | HIF1A (0.35) | — | |
| Bromide SCHEMBL8529193 | 0.66 | HIF1A (0.38) | — | |
| Bromide SCHEMBL8529190 | 0.66 | HIF1A (0.38) | — | |
| Iodide SCHEMBL8529400 | 0.65 | TAAR1 (0.33) | — | |
| Iodide SCHEMBL8528328 | 0.65 | HIF1A (0.33) | — | |
| Iodide SCHEMBL8527469 | 0.63 | — | — | |
| Iodide SCHEMBL8531882 | 0.63 | IDO1 (0.34) | — | |
| Iodide SCHEMBL8533190 | 0.63 | ALDH1A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |