Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8077847

CC1=C([Hf+2]C2=C(C)Cc3ccc4ccccc4c32)c2c(ccc3ccccc23)C1.[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
MAPT P10636 2/20 0.37
CYP2A6 P11509 4/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 3/20 0.33
HIF1A Q16665 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
HPRT1 P00492 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ANPEP P15144 1/20 0.33
WDR5 P61964 1/20 0.33

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 SCHEMBL28815114 0.78 MAPT (0.38) MAPTCYP2A6TSHRCYP1A2ALDH1A1
SCHEMBL3965887 0.76 MAPT (0.39) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Bromide SCHEMBL28815167 0.75 MAPT (0.38) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Iodide SCHEMBL28815180 0.75 MAPT (0.38) MAPTCYP2A6TSHRCYP1A2ALDH1A1
SCHEMBL5702791 0.75 MAPT (0.38) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL7515971 0.74 MAPT (0.35) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL7180178 0.74 MAPT (0.39) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL7143019 0.74 MAPT (0.35) MAPTCYP2A6TSHRCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL7187480 0.74 MAPT (0.39) MAPTCYP2A6TSHRCYP1A2ALDH1A1
SCHEMBL29716676 0.73 TSHR (0.52) MAPTCYP2A6TSHRCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025134-A1 PROCESS FOR THE PREPARATON OF A CATALYST BOREALIS A/S (DK) 2000-08-09 EP disclosed
WO-1999021895-A1 PROCESS BOREALIS A/S (DK) 1999-05-06 WO disclosed