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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 SCHEMBL27336456 | 1.00 | CA2 (0.41) | CA2CA4CA5AESR1ESR2 | |
| SCHEMBL361668 | 0.97 | CA2 (0.43) | CA2CA4CA5AESR1ESR2 | |
| Hydrochloric Acid SCHEMBL996153 | 0.93 | CA2 (0.41) | CA2CA4CA5AESR1ESR2 | |
| SCHEMBL6316218 | 0.93 | CA2 (0.41) | CA2CA4CA5AESR1ESR2 | |
| Bromide SCHEMBL2185231 | 0.93 | CA2 (0.41) | CA2CA4CA5AESR1ESR2 | |
| Hydrochloric Acid SCHEMBL2582115 | 0.93 | CA2 (0.41) | CA2CA4CA5AESR1ESR2 | |
| SCHEMBL10710709 | 0.93 | CA2 (0.41) | CA2CA4CA5AESR1ESR2 | |
| Fluoride SCHEMBL11191593 | 0.93 | CA2 (0.41) | CA2CA4CA5AESR1ESR2 | |
| Water SCHEMBL7532602 | 0.93 | CA2 (0.41) | CA2CA4CA5AESR1ESR2 | |
| Carbon Monoxide SCHEMBL10931516 | 0.85 | CA2 (0.42) | CA2CA4CA5AESR1ESR2 |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9295981-B2 | Method for producing ester compound by reacting an unsaturated organic compound and a formic acid ester in the presence of a catalyst system containing a ruthenium compound, a cobalt compound and a halide salt | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2016-03-29 | — | — | US | disclosed |
| US-8653301-B2 | Tricyclodecane monomethanol monocarboxylic acid and derivatives thereof | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2014-02-18 | — | — | US | disclosed |
| US-20140031579-A1 | METHOD OF PRODUCING NORBORNANEDICARBOXYLIC ACID ESTER | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2014-01-30 | — | — | US | disclosed |
| EP-2492258-A1 | METHOD FOR MANUFACTURING A TRICYCLODECANE MONO-METHANOL MONOCARBOXYLIC ACID DERIVATIVE | Hitachi Chemical Company, Ltd. (JP) | 2012-08-29 | — | — | EP | disclosed |
| US-20120203026-A1 | METHOD FOR MANUFACTURING TRICYCLODECANE MONO-METHANOL MONOCARBOXYLIC ACID DERIVATIVE | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2012-08-09 | — | — | US | disclosed |
| EP-2474519-A1 | TRICYCLODECANE MONOMETHANOL MONOCARBOXYLIC ACID AND DERIVATIVES THEREOF | Hitachi Chemical Company, Ltd. (JP) | 2012-07-11 | — | — | EP | disclosed |
| US-20120157705-A1 | TRICYCLODECANE MONOMETHANOL MONOCARBOXYLIC ACID AND DERIVATIVES THEREOF | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2012-06-21 | — | — | US | disclosed |
| EP-2460785-A1 | METHOD FOR PRODUCING ESTER COMPOUND | Hitachi Chemical Company, Ltd. (JP) | 2012-06-06 | — | — | EP | disclosed |
| US-20120123146-A1 | METHOD FOR PRODUCING ESTER COMPOUND | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| US-4703064-A | FROM HYDROGEN AND CARBON MONOXIDE, USING RUTHENIUM CARBONYL COMPLEXES | UNION CARBIDE CORPORATION (US) | 1987-10-27 | — | — | US | disclosed |
| EP-0120462-A1 | Accelerators for vulcanizing vinylidene fluoride elastomeric copolymers | Montedison S.p.A. (IT) | 1984-10-03 | — | — | EP | disclosed |
| US-4460709-A | Process for producing oxygen-containing organic compounds | AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY (JP) | 1984-07-17 | — | — | US | disclosed |
| US-4434247-A | FROM HYDROGEN AND CARBON MONOXIDE, RUTHENIUM CARBONYL | UNION CARBIDE CORPORATION (US) | 1984-02-28 | — | — | US | disclosed |
| EP-0085191-A1 | Continuous process for producing alcohols | UNION CARBIDE CORPORATION (US) | 1983-08-10 | — | — | EP | disclosed |
| EP-0084682-A1 | Process for producing alcohols | UNION CARBIDE CORPORATION (US) | 1983-08-03 | — | — | EP | disclosed |
| EP-0075937-A1 | Process for producing alcohols | UNION CARBIDE CORPORATION (US) | 1983-04-06 | — | — | EP | disclosed |
| EP-0013008-B1 | PROCESS FOR PRODUCING ALCOHOLS | UNION CARBIDE CORPORATION (US) | 1983-03-16 | — | — | EP | disclosed |
| EP-0068498-A1 | Process for producing alcohols | UNION CARBIDE CORPORATION (US) | 1983-01-05 | — | — | EP | disclosed |
| EP-0055668-A1 | Process for the production of ethylene glycol from synthesis gas in the presence of a ruthenium carbonyl complex | UNION CARBIDE CORPORATION (US) | 1982-07-07 | — | — | EP | disclosed |
| EP-0048980-A1 | Continuous process for the manufacture of ethylene glycol | UNION CARBIDE CORPORATION (US) | 1982-04-07 | — | — | EP | 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 (3 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-20120203026-A1 | METHOD FOR MANUFACTURING TRICYCLODECANE MONO-METHANOL MONOCARBOXYLIC ACID DERIVATIVE | MCCC2, HACL2, HPD | CA2 61/4885CA4 149/4885CA5A 84/4885 |
| US-20120157705-A1 | TRICYCLODECANE MONOMETHANOL MONOCARBOXYLIC ACID AND DERIVATIVES THEREOF | MCCC2, HADHA, MLYCD | CA2 849/4885CA4 956/4885CA5A 279/4885 |
| US-20140031579-A1 | METHOD OF PRODUCING NORBORNANEDICARBOXYLIC ACID ESTER | HSD11B2, HSD17B12, HSD11B1 | CA2 502/4885CA4 442/4885CA5A 412/4885 |
“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.