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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 3/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 2/20 | 0.33 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.33 |
| ▸ | PTGIR | P43119 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 SCHEMBL7327222 | 1.00 | NISCH (0.38) | NISCHNOS3NOS1NOS2KMT2A | |
| Iodide SCHEMBL2889536 | 0.98 | NISCH (0.39) | NISCHNOS3NOS1NOS2KMT2A | |
| SCHEMBL2896154 | 0.96 | — | — | |
| Iodomethane SCHEMBL5742685 | 0.92 | NISCH (0.38) | NISCHNOS3NOS1NOS2KMT2A | |
| Iodide SCHEMBL2418682 | 0.91 | — | — | |
| SCHEMBL989810 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL11702150 | 0.87 | — | — | |
| Iodide SCHEMBL315802 | 0.82 | — | — | |
| SCHEMBL94280 | 0.80 | — | — | |
| Bromide SCHEMBL6976660 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0389765-B1 | Calcium antagonists | MERRELL DOW PHARMA (US) | 1994-08-24 | — | — | EP | disclosed |
| US-5106845-A | Calcium antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-04-21 | — | — | US | disclosed |
| EP-0389765-A1 | Calcium antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-10-03 | — | — | EP | disclosed |