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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.96 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.96 |
| ▸ | TSHR | P16473 | 1/20 | 0.96 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | CPA3 | P15088 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30793417 | 0.98 | ALDH1A1 (1.00) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Bromide SCHEMBL12497328 | 0.96 | ALDH1A1 (0.96) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Water SCHEMBL11301878 | 0.96 | ALDH1A1 (0.96) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Bromide SCHEMBL174432 | 0.96 | ALDH1A1 (0.96) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Bromide SCHEMBL28027685 | 0.92 | ALDH1A1 (0.88) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL4881713 | 0.88 | ALDH1A1 (0.74) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL7300530 | 0.86 | ALDH1A1 (0.71) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| SCHEMBL31204098 | 0.85 | ALDH1A1 (0.77) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL11234785 | 0.84 | TSHR (0.69) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| Bromide SCHEMBL28739842 | 0.84 | ALDH1A1 (0.69) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR |
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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-57145869-A | — | — | None | — | — | JP | disclosed |
| JP-60231629-A | — | — | None | — | — | JP | disclosed |
| JP-60188381-A | — | — | None | — | — | JP | disclosed |
| CN-108627647-B | Detection and quantification method of post-translational modification proteomics | 四川大学 | 2020-06-19 | — | — | CN | disclosed |
| US-20200033361-A1 | Detection and Quantitation Method for Proteomics of Post-Translational Modifications | SICHUAN UNIVERSITY (CN) | 2020-01-30 | — | — | US | disclosed |
| CN-108627647-A | A kind of detection of posttranslational modification proteomics and quantitative approach | 四川大学 | 2018-10-09 | — | — | CN | disclosed |
| CN-105175738-B | The after-finishing flame resistant method of anionic polyelectrolyte, RIPSTOP | 中国科学技术大学 | 2018-04-10 | — | — | CN | disclosed |
| EP-2780008-B1 | COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND A SUBSTITUTED IMIDAZOLE, METHODS AND USES THEREOF | MERIAL INC (US) | 2017-07-05 | — | — | EP | disclosed |
| US-9173404-B2 | Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof | MERIAL, INC. (US) | 2015-11-03 | — | — | US | disclosed |
| US-9125407-B2 | Compositions comprising an aryl pyrazole and a substituted imidazole, methods and uses thereof | MERIAL, INC. (US) | 2015-09-08 | — | — | US | disclosed |
| US-4490537-A | Enlarged-hetero-ring prostacyclin analogs | THE UPJOHN COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| US-4490549-A | Enlarged-hetero-ring prostacyclin analogs | THE UPJOHN COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| US-4490538-A | Enlarged-hetero-ring prostacyclin analogs | THE UPJOHN COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| US-4358620-A | 9-Formyl-9,10-dihydro-9,10-methanoanthracene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-11-09 | — | — | US | disclosed |
| JP-S57145869-A | PREPARATION OF D,L-NORAMBRENOLIDE | JAPAN TOBACCO INC | 1982-09-09 | — | — | JP | disclosed |
| US-4224344-A | Organic tricyclic compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-09-23 | — | — | US | disclosed |
| US-4137273-A | INSECTICIDES, CHEMICAL INTERMEDIATES | ZOECON CORPORATION (US) | 1979-01-30 | — | — | US | disclosed |
| US-4125713-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1978-11-14 | — | — | US | disclosed |
| US-4125712-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1978-11-14 | — | — | US | disclosed |
| US-4005150-A | Phenyl ethers having juvenile hormone activity | CESKOSLOVENSKA AKADEMIE VED (CS) | 1977-01-25 | — | — | US | disclosed |