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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GSDMD | P57764 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.31 |
| ▸ | EHMT1 | Q9H9B1 | 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 SCHEMBL3049130 | 0.88 | PHGDH (0.33) | PHGDHMGLL | |
| Iodide SCHEMBL3049109 | 0.85 | CA12 (0.34) | PHGDHMGLLCA12CA1CA2 | |
| Iodide SCHEMBL3056531 | 0.81 | MGLL (0.38) | MGLLCA12CA1CA2CA9 | |
| SCHEMBL3058705 | 0.78 | — | — | |
| Iodide SCHEMBL3059922 | 0.78 | PHGDH (0.35) | PHGDHMGLLABCB11CYP2E1PTGS1 | |
| Iodide SCHEMBL3049135 | 0.76 | — | — | |
| Iodide SCHEMBL3259459 | 0.75 | CA12 (0.31) | PHGDHMGLLCA12CA1CA2 | |
| Iodide SCHEMBL3050399 | 0.72 | MGLL (0.35) | MGLLCA12CA1CA2CA9 | |
| Iodide SCHEMBL3054539 | 0.69 | PHGDH (0.36) | PHGDHMGLLABCB11CYP2E1PTGS1 | |
| Iodide SCHEMBL3045992 | 0.67 | PHGDH (0.36) | PHGDHMGLL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100222580-A1 | Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content | MERCK PATENT GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100222580-A1 | Process For The Preparation Of Onium Alkylsulfates Having A Low Halide Content | STS, MRPS35, ARSA | PHGDH 2910/4885MGLL 59/4885ABCB11 2809/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.