Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902718

C1=C([Zr+2]C2=Cc3c(-c4cccc5ccccc45)cccc3C2c2ccccn2)C(c2ccccn2)c2cccc(-c3cccc4ccccc34)c21.[Cl-].[Cl-]

nearest known ligand 0.39

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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
ACHE known ✓ P22303 1/20 0.32
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
TGFBR1 P36897 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
HTR2C P28335 2/20 0.34
DCTPP1 Q9H773 1/20 0.33
GAA P10253 1/20 0.33
PIM1 P11309 1/20 0.32
BCHE P06276 1/20 0.32
PTPN1 P18031 1/20 0.31
LMNA P02545 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
SCHEMBL6903739 0.82 ALDH1A1 (0.39) ALDH1A1MAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6904521 0.82 DHFR (0.39) ALDH1A1MAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6899139 0.79 SYK (0.40) ALDH1A1MAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6904743 0.77 ALDH1A1 (0.37) ALDH1A1MAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6904019 0.76 ALDH1A1 (0.36) ALDH1A1MAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6898055 0.76 NPC1 (0.36) ALDH1A1MAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6902388 0.76 NPC1 (0.36) ALDH1A1MAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6904273 0.75 MEN1 (0.33) ALDH1A1MAPTNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6902095 0.75 CA12 (0.33) ALDH1A1MAPTKMT2AKDM4EHPGD
Hydrochloric Acid SCHEMBL6903467 0.75 GPR88 (0.38) ALDH1A1MAPTNPC1RAB9AKMT2A

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