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 SCHEMBL9863562 | 0.89 | — | — | |
| Iodide SCHEMBL9863904 | 0.86 | — | — | |
| Iodide SCHEMBL9863524 | 0.85 | — | — | |
| SCHEMBL10689382 | 0.83 | EPHX1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL10691704 | 0.83 | — | — | |
| SCHEMBL9876527 | 0.82 | EPHX1 (0.39) | — | |
| Iodide SCHEMBL9691673 | 0.79 | — | — | |
| Iodide SCHEMBL9863507 | 0.78 | — | — | |
| SCHEMBL9863810 | 0.78 | EPHX1 (0.56) | — | |
| SCHEMBL9863907 | 0.76 | EPHX1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5025005-A | Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-06-18 | — | — | US | disclosed |