Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5722667

CCC(C)C1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr+2].[Cl-].[Cl-]

nearest known ligand 0.32

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 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32
PTPN1 P18031 1/20 0.31
HTR7 P34969 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
SLC6A4 P31645 2/20 0.30
DRD2 P14416 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
HTR2C P28335 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 SCHEMBL8170303 0.89
Hydrochloric Acid SCHEMBL27493413 0.89 ALDH1A1 (0.33)
Hydrochloric Acid SCHEMBL4467654 0.87 MAPT (0.35) PPARGPPARANPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL27494193 0.87 HTR1A (0.32) HTR7
Hydrochloric Acid SCHEMBL27494195 0.83 KCNQ2 (0.32) MAPT
Hydrochloric Acid SCHEMBL27493034 0.82 S1PR5 (0.34) AKR1C3AKR1C2SLC6A4HTR2C
Hydrochloric Acid SCHEMBL27477207 0.82 CYP11B1 (0.35) MAPTSMN1; SMN2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5951958 0.81 NPC1 (0.34) PPARGPPARANPC1MAPTRAB9A
SCHEMBL27492400 0.81 PPARG (0.31) PPARGPPARANPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL7185530 0.80 SLC6A4 (0.30) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1065241-B1 Olefinic thermoplastic elastomer composition and method for producing the same MITSUI CHEMICALS INC (JP) 2006-04-05 EP disclosed
CN-1191286-C Ethylene copolymer rubber, process for producing same and use MITSUI CHEMICALS INC (JP) 2005-03-02 CN disclosed
CN-1344283-A Ethylene copolymer rubber, process for producing the same, and use thereof MITSUI CHEMICALS INC (JP) 2002-04-10 CN disclosed