Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7921149

CC1=C2c3c(ccc4ccccc34)C1[Zr+2]C1C(C)=C(c3c1ccc1ccccc31)C2(c1ccccc1)c1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.34

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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 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP2A6 P11509 2/20 0.32
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
WDR5 P61964 1/20 0.30
CYP1A2 P05177 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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 SCHEMBL6526039 0.74 ALDH1A1 (0.35) ALDH1A1MAPK1KDM4ELMNACYP2A6
Hydrochloric Acid SCHEMBL7929752 0.74
Hydrochloric Acid SCHEMBL4062027 0.73 ALDH1A1 (0.34) ALDH1A1MAPK1KDM4ELMNACYP2A6
Hydrochloric Acid SCHEMBL7197636 0.65 HTR1A (0.33) ALDH1A1KDM4ELMNAMAPTHPGD
Hydrochloric Acid SCHEMBL622158 0.64 DHFR (0.33) ALDH1A1MAPK1KDM4ECYP2A6MAPT
Hydrochloric Acid SCHEMBL2119949 0.64 ALDH1A1 (0.35) ALDH1A1MAPK1KDM4ELMNACYP2A6
Hydrochloric Acid SCHEMBL1129509 0.64 ALDH1A1 (0.35) ALDH1A1MAPK1KDM4ELMNACYP2A6
Hydrochloric Acid SCHEMBL219041 0.63 HTR7 (0.34) ALDH1A1CYP2A6MAPTRAB9A
Hydrochloric Acid SCHEMBL6905620 0.62 CES1 (0.34) ALDH1A1HPGDHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL4326066 0.62 KDM4E (0.32) ALDH1A1MAPK1KDM4ELMNA

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