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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC16A3 | O15427 | 2/20 | 0.39 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL6014674 | 1.00 | SLC16A3 (0.39) | SLC16A3SLC16A1NR1H2NR1H3ALDH1A1 | |
| Iodide SCHEMBL6014579 | 0.84 | AR (0.38) | SLC16A3SLC16A1NR1H2NR1H3ALDH1A1 | |
| Bromide SCHEMBL5025873 | 0.79 | AR (0.39) | SLC16A3SLC16A1NR1H2NR1H3ALDH1A1 | |
| Iodide SCHEMBL5028676 | 0.79 | AR (0.37) | ALDH1A1ARDRD2DRD3 | |
| Iodide SCHEMBL5027296 | 0.78 | AR (0.36) | SLC16A3SLC16A1ALDH1A1AR | |
| Iodide SCHEMBL5027441 | 0.77 | PTPN11 (0.36) | SLC16A3SLC16A1ALDH1A1AR | |
| SCHEMBL19496111 | 0.71 | SLC16A3 (0.48) | SLC16A3SLC16A1NR1H2NR1H3ALDH1A1 | |
| SCHEMBL11939404 | 0.69 | SLC16A3 (0.58) | SLC16A3SLC16A1NR1H2NR1H3ALDH1A1 | |
| SCHEMBL11939407 | 0.68 | SLC16A3 (0.50) | SLC16A3SLC16A1NR1H2NR1H3ALDH1A1 | |
| SCHEMBL2950313 | 0.66 | SLC16A3 (0.48) | SLC16A3SLC16A1NR1H2NR1H3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006032848-A1 | PHOTOSENSITISERS AND THEIR USES | PHOTOPHARMICA LIMITED (GB) | 2006-03-30 | — | — | WO | disclosed |