Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8927357

CC(=C1C=CC(C2c3ccccc3-c3ccccc32)=C1[Zr+2])c1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.33

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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 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
POLB P06746 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
GAA P10253 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
KDM4E B2RXH2 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 SCHEMBL2353823 0.85 HTR2A (0.33) HTR2A
Hydrochloric Acid SCHEMBL3783189 0.85 HTR2A (0.35) HTR2APOLBCYP1A2CYP3A4GAA
Hydrochloric Acid SCHEMBL8927344 0.83 POLB (0.31) POLBCYP1A2CYP3A4GAACYP2D6
Bromide SCHEMBL7205884 0.82 HTR2A (0.35) HTR2APOLB
SCHEMBL8093928 0.79 POLB (0.30) POLB
Hydrochloric Acid SCHEMBL8854555 0.73 HTR2A (0.36) HTR2ACYP1A2CYP3A4GAACYP2D6
Hydrochloric Acid SCHEMBL7203692 0.70 HTR2A (0.38) HTR2ACYP3A4KDM4E
Hydrochloric Acid SCHEMBL7203180 0.70 HTR2A (0.39) HTR2A
Hydrochloric Acid SCHEMBL7095854 0.70 POLB (0.34) HTR2APOLBCYP1A2CYP3A4GAA
SCHEMBL8366223 0.68 POLB (0.35) HTR2APOLBCYP1A2CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627245-A Process for the preparation of a syndiotactic propylene copolymer HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-06 US claimed
US-5627245-A Process for the preparation of a syndiotactic propylene copolymer HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
US-5539066-A Process for the preparation of syndiotactic polyolefins having a broad molecular weight distribution HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
US-5371158-A Bulk polymerization using specific metallocene catalysts for the preparation of cycloolefin polymers HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed