Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904273

Cc1ccc(C2C([Zr+2]C3=Cc4c(-c5cccc6ccccc56)cccc4C3c3ccc(C)o3)=Cc3c(-c4cccc5ccccc45)cccc32)o1.[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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
BRCA1 P38398 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
HBB P68871 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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 SCHEMBL6902608 0.84 ALDH1A1 (0.34) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL6903266 0.82 ALDH1A1 (0.35) MEN1ALDH1A1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL6898324 0.78
Hydrochloric Acid SCHEMBL6901351 0.77 BRD4 (0.33) LMNANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6902095 0.77 CA12 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL6902682 0.76 MAPT (0.32) MEN1ALDH1A1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL6902700 0.76 SLC6A2 (0.33) MEN1ALDH1A1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL6898684 0.76 S1PR1 (0.30)
Hydrochloric Acid SCHEMBL6902718 0.75 ALDH1A1 (0.39) MEN1ALDH1A1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL6902670 0.74 SLC6A2 (0.38) MEN1ALDH1A1MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed