Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904002

C1=C([Zr+2]C2=Cc3c(-c4ccccc4)cccc3C2c2ccccn2)C(c2ccccn2)c2cccc(-c3ccccc3)c21.[Cl-].[Cl-]

nearest known ligand 0.42

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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 0.30
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
TOP1 P11387 1/20 0.33
TGFBR1 P36897 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
KDR P35968 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
GRM5 P41594 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 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 SCHEMBL6899139 0.90 SYK (0.40) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6904743 0.88 ALDH1A1 (0.37) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6902388 0.87 NPC1 (0.36) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6898055 0.87 NPC1 (0.36) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6904019 0.87 ALDH1A1 (0.36) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6904521 0.85 DHFR (0.39) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6903467 0.85 GPR88 (0.38) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6902718 0.83 ALDH1A1 (0.39) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6904678 0.83 ALDH1A1 (0.33) NPC1ALDH1A1MAPTRAB9AKMT2A
Hydrochloric Acid SCHEMBL6903366 0.83 BRS3 (0.36) NPC1ALDH1A1MAPTRAB9AKMT2A

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