Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7635462

CC1=Cc2cc(C)ccc2C1[Zr+2]1(C2C(C)=Cc3cc(C)ccc32)CC1.[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 10)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.31
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR2C P28335 2/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
SLC6A4 P31645 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 SCHEMBL7640202 0.86 CHRNB2 (0.32) CHRNB2CHRNA4ACHENOS3NOS1
Hydrochloric Acid SCHEMBL338766 0.79 CYP11B1 (0.33) HTR2C
Hydrochloric Acid SCHEMBL649477 0.79 CYP11B1 (0.33) HTR2C
Hydrochloric Acid SCHEMBL10711045 0.79 CYP11B1 (0.33) HTR2C
Hydrochloric Acid SCHEMBL1030910 0.75 CYP1A2 (0.37)
Fluoride Ion SCHEMBL1130323 0.75 HTR2C (0.31) HTR2C
Hydrochloric Acid SCHEMBL5351284 0.72 CYP19A1 (0.31)
Hydrochloric Acid SCHEMBL5515666 0.72 CYP19A1 (0.31)
Hydrochloric Acid SCHEMBL6433415 0.72 DRD2 (0.32)
Hydrochloric Acid SCHEMBL28994366 0.71 ACHE (0.32) CHRNB2CHRNA4HTR2CACHESLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143911-A Catalyst useful for the polymerization of olefins MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 2000-11-07 US claimed
US-5561093-A Catalyst useful for the polymerization of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 1996-10-01 US claimed
EP-0529908-B2 Catalyst useful for the polymerization of olefin MITSUBISHI CHEM CORP (JP) 2002-11-06 EP disclosed
EP-0748822-B1 Catalyst component useful for the polymerization of olefins MITSUBISHI CHEM CORP (JP) 2001-11-07 EP disclosed
US-6143911-A Catalyst useful for the polymerization of olefins MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 2000-11-07 US disclosed
EP-0529908-B1 Catalyst useful for the polymerization of olefin MITSUBISHI CHEM CORP (JP) 1997-05-14 EP disclosed
EP-0748822-A2 Catalyst component useful for the polymerization of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 1996-12-18 EP disclosed
US-5561093-A Catalyst useful for the polymerization of olefins MITSUBISHI CHEMICAL CORPORATION (JP) 1996-10-01 US disclosed
EP-0529908-A1 Catalyst useful for the polymerization of olefin MITSUBISHI CHEMICAL CORPORATION (JP) 1993-03-03 EP disclosed