Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28058663

[Cl-].[Cl-].[Zr+2]C1c2ccccc2-c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc21

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
SLC6A3 known ✓ Q01959 1/20 0.35
CYP2C19 P33261 1/20 0.42
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 1/20 0.42
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TSHR P16473 3/20 0.37
NR3C1 P04150 2/20 0.36
CYP2D6 P10635 2/20 0.35
LMNA P02545 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PDE6A P16499 1/20 0.35
ADRA2C P18825 1/20 0.35
MC4R P32245 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28058576 0.82 MEN1 (0.40) MAPK1TSHRKMT2AHIF1ABLM
Hydrochloric Acid SCHEMBL7195502 0.76 GPR3 (0.41) MAPK1TSHRKMT2ABLM
SCHEMBL9770501 0.73 NR1H2 (0.46) CYP2C19CYP1A2MAPK1NR1H2NR1H3
Hydrochloric Acid SCHEMBL28058646 0.73 NR3C1 (0.39) CYP2C19CYP1A2TSHRNR3C1CYP2D6
Hydrochloric Acid SCHEMBL7191899 0.73 GPR3 (0.34) CYP2C19CYP1A2MAPK1TSHRCYP2D6
Hydrochloric Acid SCHEMBL540484 0.71 GPR3 (0.44) CYP1A2CYP2D6HTR1AADRA2AADRA1A
SCHEMBL2960872 0.69 CYP2C19 (0.78) CYP2C19CYP1A2NR1H2NR1H3CRHBP
Hydrochloric Acid SCHEMBL7944464 0.69 GPR3 (0.42) CYP1A2CYP2D6HTR1AADRA2AADRA1A
SCHEMBL20370919 0.68 CYP2C19 (0.50) CYP2C19CYP1A2MAPK1NR1H2NR1H3
SCHEMBL10974928 0.67 CRHBP (0.68) CYP2C19CYP1A2NR1H2NR1H3CRHBP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106133042-B Ultrahigh molecular weight polyethylene stretches microporous membrane 东曹株式会社 2019-11-26 CN disclosed
CN-105377909-B Ultra high molecular weight polyethylene particles and the formed body formed by it 东曹株式会社 2018-04-03 CN disclosed
CN-106133042-A Ultrahigh molecular weight polyethylene stretching micro-porous film 东曹株式会社 2016-11-16 CN disclosed
CN-105377909-A Ultra-high-molecular-weight polyethylene particles and molded body comprising same TOSOH CORP 2016-03-02 CN disclosed