Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8628713

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr+2]1(C2C(C)=Cc3c(-c4ccccc4)cccc32)=[Si]2CC[Si]=1CC2.[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 15)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32
HTR7 P34969 5/20 0.32
HTR1A P08908 4/20 0.32
USP30 Q70CQ3 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR2B P41595 3/20 0.31
TMEM97 Q5BJF2 3/20 0.31
SIGMAR1 Q99720 2/20 0.31
ADRA1A P35348 1/20 0.30
BRD4 O60885 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 SCHEMBL9069168 0.95 ADRA2A (0.31) ADRA2AADRA2BADRA2CPDK2PDK4
Hydrochloric Acid SCHEMBL9068908 0.91 FFAR2 (0.30)
Hydrochloric Acid SCHEMBL9069774 0.91 PDK2 (0.34) PDK2PDK4
Hydrochloric Acid SCHEMBL9069222 0.88
Hydrochloric Acid SCHEMBL9069315 0.87
Hydrochloric Acid SCHEMBL9068695 0.85 ROCK2 (0.31)
Hydrochloric Acid SCHEMBL8635789 0.85 PDK2 (0.30) PDK2PDK4
Hydrochloric Acid SCHEMBL8628712 0.84 HTR1A (0.30) ADRA2AADRA2BADRA2CHTR7HTR1A
Hydrochloric Acid SCHEMBL8632675 0.84 BRD4 (0.30) PDK2PDK4BRD4
Hydrochloric Acid SCHEMBL390312 0.82 USP30 (0.33) PDK2PDK4HTR7HTR1AUSP30

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-5776851-A COORDINATION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-07-07 US claimed
US-5776851-A COORDINATION POLYMERIZATION CATALYST TARGOR GMBH (DE) 1998-07-07 US disclosed
US-5693730-A METALLOCENES HAVING MORE THAN ONE CENTRAL ATOM AND A SPECIAL BRIDGE STRUCTURE FOR PREPARING ISOTACTIC, HIGH-MOLECULAR-WEIGHT POLYMERS HAVING GOOD GRAIN MORPHOLOGY; PROPYLENE HOMO- AND COPOLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5585508-A POLYMERIZATION CATALYST FOR POLYOLEFINS HOECHST AG (DE) 1996-12-17 US disclosed