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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.41 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.41 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.60 |
| ▸ | HRH1 | P35367 | 3/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SCN1A | P35498 | 2/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL190865 | 0.96 | HTR2A (0.60) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 | |
| Iodide SCHEMBL4110593 | 0.96 | HTR2A (0.60) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9549516 | 0.94 | HTR2A (0.53) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 | |
| Bromide SCHEMBL246032 | 0.94 | HTR2A (0.58) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 | |
| Bromide SCHEMBL28158895 | 0.92 | HTR2A (0.56) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 | |
| Bromide SCHEMBL8909571 | 0.90 | HTR2A (0.53) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 | |
| Bromide SCHEMBL8782143 | 0.89 | HTR2A (0.52) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9549567 | 0.88 | HIF1A (0.58) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 | |
| Bromide SCHEMBL9147651 | 0.87 | HTR2A (0.50) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 | |
| Acetic Acid SCHEMBL9549706 | 0.86 | HTR2A (0.50) | HTR2AHRH1HIF1ASIGMAR1CYP1A2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113651792-A | Improved synthesis method of doxepin hydrochloride | 上海应用技术大学 | 2021-11-16 | — | — | CN | claimed |
| EP-0169012-A1 | Benzothiophene anti-diarrhoeal agents | Pfizer Limited (GB) | 1986-01-22 | — | — | EP | claimed |
| CN-113651792-A | Improved synthesis method of doxepin hydrochloride | 上海应用技术大学 | 2021-11-16 | — | — | CN | disclosed |
| CN-113651792-A | Improved synthesis method of doxepin hydrochloride | 上海应用技术大学 | 2021-11-16 | — | — | CN | disclosed |
| EP-0737232-A4 | MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES | ARQULE INC (US) | 1997-11-26 | — | — | EP | disclosed |
| EP-0737232-A1 | MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES | ARQULE, INC. (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018186-A1 | MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES | ARQULE PARTNERS, L.P. (US) | 1995-07-06 | — | — | WO | disclosed |
| US-5208317-A | Molding materials of cured epoxy resins | THE DOW CHEMICAL COMPANY (US) | 1993-05-04 | — | — | US | disclosed |
| US-5109099-A | ADVANCING EPOXY RESINS IN PRESENCE OF AMINO GROUP-CONTAINING PHOSPHONIUM CATALYST | THE DOW CHEMICAL COMPANY (US) | 1992-04-28 | — | — | US | disclosed |
| EP-0441243-A2 | Precatalyzed catalyst compositions, process for preparing epoxy resins, curable compositions, articles resulting from curing the resultant compositions | THE DOW CHEMICAL COMPANY (US) | 1991-08-14 | — | — | EP | disclosed |
| US-4981926-A | Rapid and selective curing using phosphonium catalyst containing an amine group; polyepoxides | THE DOW CHEMICAL COMPANY (US) | 1991-01-01 | — | — | US | disclosed |
| US-4654352-A | AMINO SUBSTITUTED | PFIZER INC. (US) | 1987-03-31 | — | — | US | disclosed |
| EP-0169012-A1 | Benzothiophene anti-diarrhoeal agents | Pfizer Limited (GB) | 1986-01-22 | — | — | EP | disclosed |