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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.31 |
| ▸ | CES2 | O00748 | 3/20 | 0.30 |
| ▸ | CES1 | P23141 | 3/20 | 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 SCHEMBL3049109 | 0.91 | CA12 (0.34) | MGLLCA12CA1CA9LMNA | |
| Iodide SCHEMBL3259459 | 0.81 | CA12 (0.31) | MGLLCA12CA1CA9CA2 | |
| SCHEMBL3059900 | 0.79 | RECQL (0.44) | TSHRCA12CA1CA9CA2 | |
| Iodide SCHEMBL3047544 | 0.70 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL11039590 | 0.67 | SPHK2 (0.42) | TSHRTHRBLMNAMEN1KMT2A | |
| SCHEMBL10528305 | 0.67 | SPHK2 (0.42) | TSHRTHRBLMNAMEN1KMT2A | |
| Bromide SCHEMBL7046448 | 0.65 | SPHK2 (0.41) | TSHRTHRBLMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7529868 | 0.65 | SPHK2 (0.41) | TSHRTHRBLMNAMEN1KMT2A | |
| Decane SCHEMBL23142599 | 0.59 | TSHR (0.80) | TSHRTHRBLMNAMEN1KMT2A | |
| Decane SCHEMBL11227696 | 0.59 | TSHR (0.80) | TSHRTHRBLMNAMEN1KMT2A |
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 | MGLL 59/4885TSHR 2173/4885THRB 3239/4885 |
“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.