Hydrochloric Acid

Hydrochloric Acid

SCHEMBL44634

C=CCC(c1ccccc1)[N+](C)(C)CC.C=CC[N+](C)(C)Cc1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.38

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 16)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.36
ACHE known ✓ P22303 1/20 0.30
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.37
CHRNA7 P36544 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.35
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 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 SCHEMBL246821 0.86 CYP2C19 (0.42) KMT2ASMN1; SMN2ALDH1A1KDM4ECYP2C19
SCHEMBL250446 0.85 CYP2C19 (0.43) KMT2ASMN1; SMN2ALDH1A1KDM4ECYP2C19
Hydrochloric Acid SCHEMBL44633 0.84 MEN1 (0.39) KMT2ASMN1; SMN2MEN1TP53MAPK1
Hydrochloric Acid SCHEMBL16714236 0.83 ALDH1A1 (0.44) KMT2ASMN1; SMN2MEN1TP53MAPK1
Bromide SCHEMBL5330548 0.83 CYP2C19 (0.42) KMT2ASMN1; SMN2ALDH1A1KDM4ECYP2C19
SCHEMBL6530596 0.82 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2MEN1TP53MAPK1
Hydrochloric Acid SCHEMBL859875 0.80 CYP2C19 (0.42) KMT2ASMN1; SMN2CHRM2CHRNA7ALDH1A1
Hydrochloric Acid SCHEMBL21638 0.80 ALDH1A1 (0.54) KMT2ASMN1; SMN2MEN1TP53MAPK1
Hydrochloric Acid SCHEMBL11250018 0.80 ALDH1A1 (0.54) KMT2ASMN1; SMN2MEN1TP53MAPK1
Bromide SCHEMBL3261137 0.79 ALDH1A1 (0.52) KMT2ASMN1; SMN2MEN1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957395-B2 Methods and systems for coating a medical device ALLACCEM, INC. (US) 2018-05-01 US disclosed
US-9212286-B2 Methods and systems for coating a surface ALLACCEM, INC. (US) 2015-12-15 US disclosed
US-20130150809-A1 METHODS AND SYSTEMS FOR COATING A MEDICAL DEVICE ALLACCEM, INC. 2013-06-13 US disclosed
US-8268381-B2 Methods and systems for coating a medical device ALLACCEM, INC. (US) 2012-09-18 US disclosed
US-8067402-B2 Methods and systems for coating an oral surface ALLACCEM, INC. (US) 2011-11-29 US disclosed
US-8067403-B2 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. (US) 2011-11-29 US disclosed
US-20110015300-A1 METHODS AND SYSTEMS FOR COATING A SURFACE ALLACCEM, INC. 2011-01-20 US disclosed
US-7713955-B2 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. (US) 2010-05-11 US disclosed
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. 2008-08-28 US disclosed
US-20080020127-A1 Methods and systems for coating a medical device ALLACCEM, INC. 2008-01-24 US disclosed
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. 2008-01-24 US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition DNMT1, TET2, POLR1C CHRM2 3283/4885ACHE 260/4885KMT2A 1094/4885
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning DNMT1, TET2, CD14 CHRM2 1871/4885ACHE 302/4885KMT2A 1123/4885
US-20110015300-A1 METHODS AND SYSTEMS FOR COATING A SURFACE DNMT1, TET2, DNMT3A CHRM2 1593/4885ACHE 147/4885KMT2A 522/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.