Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5853390

CC1=CCC([Ti+2](NC(=O)c2cccc(C)c2)[SiH](C)C)=C1.[Cl-].[Cl-]

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KCNH2 Q12809 1/20 0.43
NT5E P21589 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
FPR2 P25090 1/20 0.40
GRM5 P41594 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HPGD P15428 1/20 0.39

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 SCHEMBL5853387 0.88 SMN1; SMN2 (0.37) HDAC8HDAC6SMN1; SMN2KCNK3KCNK9
Hydrochloric Acid SCHEMBL5853107 0.88 THRB (0.34) SMN1; SMN2NPC1RAB9APOLBMAPT
Hydrochloric Acid SCHEMBL5853383 0.86 HDAC8 (0.41) HDAC8HDAC6SMN1; SMN2KCNK3KCNK9
Hydrochloric Acid SCHEMBL5852849 0.81 NPC1 (0.48) HDAC8HDAC6SMN1; SMN2KCNK3KCNK9
Hydrochloric Acid SCHEMBL5854999 0.80 HPGD (0.38) SMN1; SMN2KCNK3KCNK9MEN1KMT2A
Hydrochloric Acid SCHEMBL5853379 0.78 KCNK3 (0.39) KCNK3KCNK9KMT2A
Hydrochloric Acid SCHEMBL5855321 0.76 HDAC8 (0.43) HDAC8HDAC6SMN1; SMN2KCNK3KCNK9
Hydrochloric Acid SCHEMBL5852786 0.75
Hydrochloric Acid SCHEMBL5853645 0.74 HDAC8 (0.44) HDAC8HDAC6SMN1; SMN2KCNK3KCNK9
Hydrochloric Acid SCHEMBL5854170 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed