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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | APOBEC3A | P31941 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2297527 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7256347 | 0.95 | ACHE (0.35) | ACHETP53CYP3A4THRBALOX15 | |
| SCHEMBL11420778 | 0.78 | TERT (0.36) | THRBSMN1; SMN2KDM4E | |
| SCHEMBL6033654 | 0.76 | QDPR (0.37) | THRBSMN1; SMN2TDP1KDM4EKMT2A | |
| Hydrochloric Acid SCHEMBL9716229 | 0.74 | ACHE (0.35) | ACHETP53CYP3A4THRBALOX15 | |
| SCHEMBL14982710 | 0.72 | — | — | |
| SCHEMBL14252519 | 0.72 | — | — | |
| SCHEMBL13804028 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL22581474 | 0.69 | TP53 (0.37) | TP53CYP3A4THRBALOX15SMN1; SMN2 | |
| SCHEMBL6034428 | 0.69 | QDPR (0.50) | APOBEC3AAPOBEC3G |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4333884-A | Production of acetic anhydride | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-06-08 | — | — | US | claimed |
| US-4319038-A | BY REACTING METHYL ACETATE OR DIMETHYL ETHER WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A CATALYST SYSTEM WHICH INCLUDES AN ALIPHATIC CARBOXYLIC ACID, A MANGANESE OR RHEMIUM COMPOUND, AND A HETEROCYCLIC NITROGEN-CONTAINING SALT | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | claimed |
| EP-2220048-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF BENZOMORPHANES AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE | BOEHRINGER INGELHEIM INT (DE) | 2017-01-25 | — | — | EP | disclosed |
| EP-2637997-B1 | COPRODUCTION OF ACETIC ACID AND ACETIC ANHYDRIDE | EASTMAN CHEM CO (US) | 2016-09-07 | — | — | EP | disclosed |
| US-9012683-B2 | Coproduction of acetic acid and acetic anhydride | EASTMAN CHEMICAL COMPANY (US) | 2015-04-21 | — | — | US | disclosed |
| US-8859580-B2 | Aryl- and heteroarylcarbonyl derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-10-14 | — | — | US | disclosed |
| EP-2029514-B1 | PRODUCTION OF ACETIC ACID AND MIXTURES OF ACETIC ACID AND ACETIC ANHYDRIDE | EASTMAN CHEM CO (US) | 2014-10-01 | — | — | EP | disclosed |
| EP-2637997-A1 | COPRODUCTION OF ACETIC ACID AND ACETIC ANHYDRIDE | Eastman Chemical Company (US) | 2013-09-18 | — | — | EP | disclosed |
| US-8455685-B2 | Acetic anhydride production by way of carbonylation with enhanced reaction and flashing | CELANESE INTERNATIONAL CORPORATION (US) | 2013-06-04 | — | — | US | disclosed |
| WO-2012064830-A1 | COPRODUCTION OF ACETIC ACID AND ACETIC ANHYDRIDE | EASTMAN CHEMICAL COMPANY (US) | 2012-05-18 | — | — | WO | disclosed |
| US-20120123156-A1 | COPRODUCTION OF ACETIC ACID AND ACETIC ANHYDRIDE | EASTMAN CHEMICAL COMPANY (US) | 2012-05-17 | — | — | US | disclosed |
| US-4629711-A | Process for purifying and recovering contaminated catalyst solution obtained in the carbonylation of methyl acetate and/or dimethylether | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-12-16 | — | — | US | disclosed |
| US-4557760-A | Process for recovering noble metals belonging to group VIII of the Periodic System of the elements from a contaminated catalyst solution originating from the carbonylation of methyl acetate and/or dimethylether | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-10 | — | — | US | disclosed |
| US-4556644-A | DISTILLATION, FILTRATION, AND CIRCULATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-03 | — | — | US | disclosed |
| US-4442304-A | Process for purifying and recovering contaminated catalyst solution obtained in the carbonylation of methyl acetate and/or dimethylether | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-04-10 | — | — | US | disclosed |
| US-4440570-A | Process for purifying and recovering contaminated catalyst solution obtained in the carbonylation of methyl acetate and/or dimethylether | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-04-03 | — | — | US | disclosed |
| US-4430273-A | Production of acetic anhydride | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-02-07 | — | — | US | disclosed |
| US-4351972-A | Process for making anhydrous alkyl iodides | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-09-28 | — | — | US | disclosed |
| US-4333884-A | Production of acetic anhydride | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-06-08 | — | — | US | disclosed |
| US-4319038-A | BY REACTING METHYL ACETATE OR DIMETHYL ETHER WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A CATALYST SYSTEM WHICH INCLUDES AN ALIPHATIC CARBOXYLIC ACID, A MANGANESE OR RHEMIUM COMPOUND, AND A HETEROCYCLIC NITROGEN-CONTAINING SALT | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |