Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7929673

C=[Zr+2](C1C(CCCCCC)=Cc2ccccc21)C1C(CCCCCC)=Cc2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.37

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
SLC6A2 known ✓ P23975 1/20 0.33
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
LIPG Q9Y5X9 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
PTPN1 P18031 1/20 0.33
KCNH2 Q12809 3/20 0.33
CNR2 P34972 3/20 0.32
CNR1 P21554 2/20 0.32
NR1H2 P55055 1/20 0.31

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 SCHEMBL7928210 0.88 CYP11B1 (0.31)
Hydrochloric Acid SCHEMBL3732679 0.83 CYP2D6 (0.36) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL7929746 0.83 CYP2D6 (0.41) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL7932428 0.82 CYP11B1 (0.32)
Hydrochloric Acid SCHEMBL7929758 0.80 LMNA (0.38) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL3735374 0.80 CYP2D6 (0.34) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL7636653 0.78 CYP2D6 (0.42) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL3739288 0.77 CYP3A4 (0.31) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL29898422 0.77 CYP3A4 (0.31) CYP2D6CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL7200980 0.77 CYP2D6 (0.39) CYP2D6CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153938-A1 CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed