Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.69 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.63 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL346989 | 0.97 | SLC22A1 (0.73) | SLC22A1DNM1SLC22A2TSHRALDH1A1 | |
| Water SCHEMBL1332993 | 0.93 | SLC22A1 (0.69) | SLC22A1DNM1SLC22A2TSHRALDH1A1 | |
| Bromide SCHEMBL3680180 | 0.93 | SLC22A1 (0.69) | SLC22A1DNM1SLC22A2TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL394062 | 0.93 | DNM1 (0.72) | SLC22A1DNM1SLC22A2TSHRALDH1A1 | |
| Iodide SCHEMBL4333792 | 0.93 | SLC22A1 (0.69) | SLC22A1DNM1SLC22A2TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL4131094 | 0.93 | SLC22A1 (0.69) | SLC22A1DNM1SLC22A2TSHRALDH1A1 | |
| SCHEMBL10598485 | 0.93 | SLC22A1 (0.69) | SLC22A1DNM1SLC22A2TSHRALDH1A1 | |
| SCHEMBL10598482 | 0.93 | SLC22A1 (0.69) | SLC22A1DNM1SLC22A2TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL8735491 | 0.91 | DNM1 (0.79) | SLC22A1DNM1SLC22A2TSHRALDH1A1 | |
| SCHEMBL11806867 | 0.90 | DNM1 (0.78) | SLC22A1DNM1SLC22A2TSHRALDH1A1 |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0262305-B1 | METHOD FOR THE PREPARATION OF ANILINOFUMARATE AND QUINOLINE-2,3-DICARBOXYLIC ACID | AMERICAN CYANAMID COMPANY (US) | 1990-10-31 | — | — | EP | claimed |
| EP-0262305-A1 | Method for the preparation of anilinofumarate and quinoline-2,3-dicarboxylic acid | AMERICAN CYANAMID COMPANY (US) | 1988-04-06 | — | — | EP | claimed |
| US-4252985-A | Process for the preparation of o-methallyloxyphenol by the selective monoetherification of pyrocatechol | PHILAGRO (FR) | 1981-02-24 | — | — | US | claimed |
| EP-3724193-A1 | PROCESS FOR PREPARING 2-EXO-(2-METHYLBENZYLOXY)-1-METHYL-4-ISOPROPYL-7-OXABICYCLO[2.2.1]HEPTANE | BASF Agro B.V. (NL) | 2020-10-21 | — | — | EP | disclosed |
| WO-2019115347-A1 | PROCESS FOR PREPARING 2-EXO-(2-METHYLBENZYLOXY)-1-METHYL-4-ISOPROPYL-7-OXABICYCLO[2.2.1]HEPTANE | BASF Agro B.V. (NL) | 2019-06-20 | — | — | WO | disclosed |
| US-10259919-B2 | Perchlorate ion permselective membranes | UNIVERSITY OF DELAWARE (US) | 2019-04-16 | — | — | US | disclosed |
| CN-106478423-B | Synthesize N, the method for N- diisopropylethylamine | 杭州新德环保科技有限公司 | 2018-10-02 | — | — | CN | disclosed |
| US-20170306115-A1 | PERCHLORATE ION PERMSELECTIVE MEMBRANES | UNIVERSITY OF DELAWARE (US) | 2017-10-26 | — | — | US | disclosed |
| CN-106478423-A | Synthesis N, the method for N diisopropylethylamine | 杭州新德环保科技有限公司 | 2017-03-08 | — | — | CN | disclosed |
| EP-2495229-B1 | LOW-MOLECULAR COMPOUND, POLYMER, MATERIAL FOR ELECTRONIC DEVICES, COMPOSITION FOR ELECTRONIC DEVICES, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC SOLAR CELL ELEMENT, DISPLAY AND LIGHTING EQUIPMENT | MITSUBISHI CHEM CORP (JP) | 2016-06-01 | — | — | EP | disclosed |
| WO-2016040067-A1 | PERCHLORATE ION PERMSELECTIVE MEMBRANES | UNIVERSITY OF DELAWARE (US) | 2016-03-17 | — | — | WO | disclosed |
| US-4503226-A | QUATERNARY AMMONIUM CARBOXYLATE CATALYST | OLIN CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-4479006-A | PHOSGENATION OF 3-(3,5-DFICHLOROPHENYL)HYDANTOIN AND REACTION OF PRODUCT WITH AN AMINE | RHONE-POULENC AGROCHIMIE (FR) | 1984-10-23 | — | — | US | disclosed |
| EP-0004606-B1 | PROCESS FOR PREPARING ANILINE COMPOUNDS | ETHYL CORPORATION (US) | 1982-03-10 | — | — | EP | disclosed |
| US-4252985-A | Process for the preparation of o-methallyloxyphenol by the selective monoetherification of pyrocatechol | PHILAGRO (FR) | 1981-02-24 | — | — | US | disclosed |
| US-4186147-A | DISPLACEMENT OF THIOCYANOANILINE WITH AN ALCOHOL TO FORM THIOALKYL ANILINE | ETHYL CORPORATION (US) | 1980-01-29 | — | — | US | disclosed |
| EP-0004606-A2 | Process for preparing aniline compounds | ETHYL CORPORATION (US) | 1979-10-17 | — | — | EP | disclosed |
| US-4022816-A | TRIALKYL AMMONIUM OR PHOSPHONIUM CATALYST | ETHYL CORPORATION (US) | 1977-05-10 | — | — | US | disclosed |
| US-4009116-A | Process of preparing substantially organic waste liquids containing radioactive or toxic substances for safe, non-pollutive handling, transportation and permanent storage | BAYER AKTIENGESELLSCHAFT (DT) | 1977-02-22 | — | — | US | disclosed |
| US-3960762-A | Production of absorbents | BAYER AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | disclosed |