Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2059996

CCCCCCCCCCCCCCCCCCC(C)[N+](O)(O)O.[Cl-]

nearest known ligand 0.50

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
SPHK1 Q9NYA1 2/20 0.50
LMNA P02545 2/20 0.44
OPRM1 P35372 1/20 0.42
CYP2D6 P10635 2/20 0.42
GMNN O75496 1/20 0.42
POLB P06746 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CETP P11597 1/20 0.42
HTT P42858 1/20 0.42
UBE2N P61088 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FDPS P14324 3/20 0.40

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 SCHEMBL9575910 1.00 SPHK1 (0.50) SPHK1LMNAOPRM1CYP2D6GMNN
Hydrochloric Acid SCHEMBL9794770 1.00 SPHK1 (0.50) SPHK1LMNAOPRM1CYP2D6GMNN
SCHEMBL9575716 0.98 SPHK1 (0.52) SPHK1LMNAOPRM1CYP2D6GMNN
SCHEMBL9575908 0.98 SPHK1 (0.52) SPHK1LMNAOPRM1CYP2D6GMNN
Bromide SCHEMBL9575936 0.95 SPHK1 (0.50) SPHK1LMNAOPRM1CYP2D6GMNN
Water SCHEMBL11079489 0.95 SPHK1 (0.50) SPHK1LMNAOPRM1CYP2D6GMNN
Hydrochloric Acid SCHEMBL9575611 0.88 FAAH (0.44) LMNAGMNNPOLBBLMTP53
Bromide SCHEMBL9575619 0.84 FAAH (0.44) LMNAGMNNPOLBBLMTP53
Hydrochloric Acid SCHEMBL1831241 0.84 SPHK1 (0.43) SPHK1LMNAOPRM1TP53MAPT
Hydrochloric Acid SCHEMBL9864879 0.84 SPHK1 (0.43) SPHK1LMNAOPRM1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044926-B1 ORAL COMPOSITION FOR DENTAL PURPOSES NAT UNIV CORPORATION OKAYAMA UNIV (JP) 2018-01-10 EP disclosed
US-8999298-B2 Dental oral composition NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2015-04-07 US disclosed
US-8147807-B2 Oral composition for dental purposes NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-04-03 US disclosed
US-20100330005-A1 DENTAL ORAL COMPOSITION KURARAY MEDICAL INC. (JP) 2010-12-30 US disclosed
EP-2241304-A1 DENTAL ORAL COMPOSITION Kuraray Medical Inc. (JP) 2010-10-20 EP disclosed
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES NAT. UNI. CORP. OKAYAMA UNIVERSITY (JP) 2010-09-23 US disclosed
EP-2044926-A1 ORAL COMPOSITION FOR DENTAL PURPOSES National University Corporation Okayama University (JP) 2009-04-08 EP disclosed
US-6680286-B1 CONTAINING AN ORGANIC POLYELECTROLYTE BUILDER, QUATERNARY AMMONIUM ACRYLIC POLYMERS, WHICH ARE ESPECIALLY USEFUL FOR WASHING CLOTHES SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
EP-0371406-B1 OXYALKYLATED QUATERNARY AMMONIUM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING SAID COMPOUNDS DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1993-08-04 EP disclosed
US-5076828-A Immersing seeds into quaternary solution prior to planting DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1991-12-31 US disclosed
EP-0371406-A1 Oxyalkylated quaternary ammonium compounds, processes for production thereof, and plant growth regulating compositions containing said compounds DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1990-06-06 EP 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 (2 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-20100330005-A1 DENTAL ORAL COMPOSITION TAS2R42, TAS2R43, PPM1G SPHK1 1900/4885LMNA 4782/4885OPRM1 3340/4885
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES DDOST, PPM1G, PHOSPHO1 SPHK1 851/4885LMNA 4854/4885OPRM1 3932/4885

“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.