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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.52 |
| ▸ | NOS1 | P29475 | 5/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | C1S | P09871 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3690478 | 0.97 | IDO1 (0.53) | IDO1NOS1NOS3NOS2F2 | |
| SCHEMBL9824740 | 0.81 | IDO1 (0.46) | IDO1NOS1NOS3NOS2F2 | |
| SCHEMBL10393355 | 0.74 | IDO1 (0.48) | IDO1NOS1NOS3NOS2F2 | |
| Iodide SCHEMBL6082236 | 0.72 | IDO1 (0.97) | IDO1ALDH1A1 | |
| Iodide SCHEMBL2807740 | 0.70 | SLC11A2 (0.42) | IDO1NOS1NOS3NOS2F2 | |
| SCHEMBL6082138 | 0.69 | IDO1 (1.00) | IDO1KMT2AMAPTALDH1A1MEN1 | |
| SCHEMBL29459637 | 0.69 | IDO1 (1.00) | IDO1KMT2AMAPTALDH1A1MEN1 | |
| SCHEMBL2810294 | 0.67 | SLC11A2 (0.43) | IDO1NOS1NOS3NOS2F2 | |
| Hydrochloric Acid SCHEMBL11673060 | 0.64 | LMNA (0.51) | IDO1NOS1NOS3NOS2PKM | |
| Hydrochloric Acid SCHEMBL8137241 | 0.64 | F12 (0.37) | IDO1NOS1F12KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2068855-A2 | AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008151288-A2 | AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2008-12-11 | — | — | WO | disclosed |