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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA9 | Q16790 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PHGDH | O43175 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
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 SCHEMBL3049109 | 0.89 | CA12 (0.34) | CA12CA1CA9CA2PHGDH | |
| Iodide SCHEMBL3049130 | 0.87 | PHGDH (0.33) | PHGDHMGLL | |
| Iodide SCHEMBL3047544 | 0.87 | ALDH1A1 (0.36) | ALDH1A1 | |
| Iodide SCHEMBL3056531 | 0.81 | MGLL (0.38) | CA12CA1CA9CA2ALDH1A1 | |
| Iodide SCHEMBL3049135 | 0.72 | — | — | |
| Iodide SCHEMBL3054539 | 0.61 | PHGDH (0.36) | CA12CA1CA9CA2ALDH1A1 | |
| Iodide SCHEMBL384830 | 0.61 | — | — | |
| SCHEMBL23498115 | 0.57 | CA12 (0.47) | CA12CA1CA9CA2ALDH1A1 | |
| Hexane SCHEMBL272768 | 0.53 | TSHR (0.54) | ALDH1A1 | |
| Hexane SCHEMBL5792569 | 0.52 | TSHR (0.64) | ALDH1A1 |
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-1828142-B1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2010-06-02 | — | — | EP | disclosed |
| EP-1828142-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | Merck Patent GmbH (DE) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006063654-A1 | METHOD FOR PRODUCING ONIUM ALKYL SULFATES WITH A LOW HALOGENIDE CONTENT | MERCK PATENT GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |