Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6908519

CC1=CC([Ti+2](=C(C)C)C2C=C(C)c3cc(-c4ccccc4)ccc32)c2ccc(-c3ccccc3)cc21.[Cl-].[Cl-]

nearest known ligand 0.35

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
EDNRB P24530 7/20 0.35
EDNRA P25101 7/20 0.35
PGR P06401 1/20 0.35
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
XBP1 P17861 1/20 0.32
PTBP1 P26599 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GALK1 P51570 1/20 0.32
BLM P54132 1/20 0.32
SMAD3 P84022 1/20 0.32
KMT2A Q03164 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 SCHEMBL6909394 0.86 KMO (0.34) EDNRBEDNRAPGRMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6902647 0.82 PGR (0.36) EDNRBEDNRAPGRKDM1AKDM1B
Hydrochloric Acid SCHEMBL6905728 0.77 PDCD1 (0.34) EDNRBEDNRALMNAL3MBTL1
Hydrochloric Acid SCHEMBL27517447 0.74 PGR (0.39) EDNRBEDNRAPGRKDM1AKDM1B
Hydrochloric Acid SCHEMBL27520193 0.73 PGR (0.38) EDNRBEDNRAPGRKDM1AKDM1B
SCHEMBL6908524 0.70 PGR (0.37) EDNRBEDNRAPGRMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6907014 0.69 KDM1A (0.32) EDNRBEDNRAKDM1AKDM1BMAPT
SCHEMBL6902652 0.67 PGR (0.38) EDNRBEDNRAPGRKDM1AKDM1B
SCHEMBL6909398 0.66 PGR (0.35) EDNRBEDNRAPGRMAPT
SCHEMBL30719676 0.63 EDNRB (0.46) EDNRBEDNRAMAPTSMN1; SMN2MEN1

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
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed