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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | MYC | P01106 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL310259 | 0.98 | CES2 (0.63) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 | |
| SCHEMBL29421064 | 0.98 | CES2 (0.63) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 | |
| SCHEMBL6915822 | 0.95 | CES2 (0.61) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 | |
| SCHEMBL6914769 | 0.95 | CES2 (0.61) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 | |
| SCHEMBL6912208 | 0.95 | CES2 (0.61) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 | |
| Bromide SCHEMBL6113088 | 0.95 | CES2 (0.61) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 | |
| SCHEMBL6913463 | 0.95 | CES2 (0.61) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 | |
| SCHEMBL6912740 | 0.95 | CES2 (0.61) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 | |
| SCHEMBL6917731 | 0.95 | CES2 (0.61) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6113044 | 0.95 | CES2 (0.61) | CES2CES1ALDH1A1NR1H4SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2757102-B1 | Intermediate for producing a cyclic sulfonic acid ester | WAKO PURE CHEM IND LTD (JP) | 2016-03-23 | — | — | EP | disclosed |
| US-8969591-B2 | Method for producing cyclic sulfonic acid ester and intermediate thereof | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2015-03-03 | — | — | US | disclosed |
| EP-2463281-B1 | METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF | WAKO PURE CHEM IND LTD (JP) | 2014-10-22 | — | — | EP | disclosed |
| EP-2757102-A1 | 1,3-propanesultone derivative useful in the preparation of a 1,3-propenesultone derivative | Wako Pure Chemical Industries, Ltd. (JP) | 2014-07-23 | — | — | EP | disclosed |
| US-20140142324-A1 | METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2014-05-22 | — | — | US | disclosed |
| US-8673963-B2 | Method for producing cyclic sulfonic acid ester and intermediate thereof | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2014-03-18 | — | — | US | disclosed |
| EP-2463281-A1 | METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF | Wako Pure Chemical Industries, Ltd. (JP) | 2012-06-13 | — | — | EP | disclosed |
| US-20120130089-A1 | METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2012-05-24 | — | — | US | 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 (2 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-20140142324-A1 | METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF | STS, TST, SULT1A1 | CES2 540/4885CES1 153/4885ALDH1A1 131/4885 |
| US-20120130089-A1 | METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF | STS, TST, SULT1A1 | CES2 540/4885CES1 153/4885ALDH1A1 131/4885 |
“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.