Hydrochloric Acid

Hydrochloric Acid

SCHEMBL822337

CC(C)=[Zr+2]c1c(C2=C(C)C=C(C(C)(C)C)C2)ccc2c1Cc1ccccc1-2.[Cl-].[Cl-]

nearest known ligand 0.36

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 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PNMT P11086 1/20 0.32
PGR P06401 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 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 SCHEMBL12694723 0.80 PGR (0.34) NPC1RAB9APNMTPGRALDH1A1
Hydrochloric Acid SCHEMBL822335 0.77 NPC1 (0.34) NPC1RAB9APGRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5688812 0.75 NPC1 (0.34) NPC1RAB9APNMT
Hydrochloric Acid SCHEMBL30599774 0.75 NPC1 (0.34) NPC1RAB9APNMT
Hydrochloric Acid SCHEMBL16908430 0.73 NPC1 (0.33) NPC1RAB9APGR
Hydrochloric Acid SCHEMBL978987 0.73 NPC1 (0.36) NPC1RAB9APNMTPGRHTR2B
Hydrochloric Acid SCHEMBL2779266 0.71 PNMT (0.35) NPC1RAB9APNMTPGRALDH1A1
Hydrochloric Acid SCHEMBL820432 0.70 NPC1 (0.36) NPC1RAB9APNMTALDH1A1HTR7
Hydrochloric Acid SCHEMBL617844 0.70 NPC1 (0.37) NPC1RAB9APNMTPGRALDH1A1
SCHEMBL17644783 0.70 NPC1 (0.40) NPC1RAB9APNMTPGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010376-A1 Multi-Component Catalyst Systems and Polymerization Processes for Forming Broad Composition Distribution Polymers FINA TECHNOLOGY, INC. (US) 2012-01-12 US disclosed