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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA7 | P43166 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL144129 | 0.97 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| Hydrochloric Acid SCHEMBL4175940 | 0.94 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL8745388 | 0.94 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| Fluoride Ion SCHEMBL245850 | 0.94 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| SCHEMBL282301 | 0.87 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL13401281 | 0.87 | ACHE (0.71) | CA1CA2CA7CA9CA12 | |
| SCHEMBL126675 | 0.87 | CA4 (0.59) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL10826980 | 0.87 | ESR2 (0.54) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29854099 | 0.87 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| Bromide SCHEMBL4851524 | 0.85 | CA4 (0.56) | CA1CA2CA7CA9CA12 |
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-0119068-B1 | METHOD FOR PREPARING DIARYL IODONIUM SALTS | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1987-04-22 | — | — | EP | disclosed |
| US-4659840-A | COUPLING AROMATIC HYDROCARBON WITH ARYLIODIDE IN PRESENCE OF SULFURIC ACID AND OXIDIZING AGENT | NIPPON PETROCHEMICALS CO., LTD. (JP) | 1987-04-21 | — | — | US | disclosed |
| EP-0119068-A1 | Method for preparing diaryl iodonium salts | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1984-09-19 | — | — | EP | disclosed |