Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7200396

CN(C)c1ccc2c(c1)C([Zr+2])c1cc(N(C)C)ccc1-2.[Cl-].[Cl-]

nearest known ligand 0.40

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
ALDH1A1 P00352 7/20 0.40
TSHR P16473 5/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TERT O14746 1/20 0.38
APP P05067 1/20 0.38
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PDK2 Q15119 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
CHRM5 P08912 1/20 0.33
CHKA P35790 1/20 0.33
SLC40A1 Q9NP59 1/20 0.31
PSMB5 P28074 1/20 0.31
APAF1 O14727 1/20 0.31
USP2 O75604 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 SCHEMBL7195502 0.91 GPR3 (0.41) ALDH1A1TSHRALOX15HSD17B10TERT
Hydrochloric Acid SCHEMBL7197340 0.79
SCHEMBL6155884 0.73 GPR3 (0.68) ALDH1A1TSHRALOX15HSD17B10TERT
Hydrochloric Acid SCHEMBL28058576 0.72 MEN1 (0.40) ALDH1A1TSHRHSD17B10TERTCYP3A4
Hydrochloric Acid SCHEMBL7191899 0.72 GPR3 (0.34) ALDH1A1TSHRCYP3A4MAPK1MAPT
Hydrochloric Acid SCHEMBL3273189 0.71 MAOA (0.37) ALDH1A1ALOX15HSD17B10CYP3A4TDP1
SCHEMBL5526151 0.69 PDK2 (0.50) ALDH1A1TSHRHSD17B10CYP3A4MAPK1
SCHEMBL5528114 0.68 PGR (0.48) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL12844048 0.68 ALDH1A1 (0.46) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL13569394 0.67 SNCA (0.43) ALDH1A1TSHRHSD17B10APPCYP3A4

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-0942006-B1 Catalyst for olefin polymer production and process for olefin polymer production employing the catalyst TOSOH CORP (JP) 2003-06-04 EP disclosed