Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4863978

COS(=O)(=O)[O-].C[n+]1cccc(Cn2ncc(N)c2N)c1.Cl.Cl

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.35
HTR1A P08908 1/20 0.35
MAOA P21397 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.33
HTT P42858 3/20 0.31
HPGD P15428 2/20 0.31
PPARG P37231 2/20 0.31
NCOA2 Q15596 2/20 0.31
NCOA1 Q15788 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
KDM4E B2RXH2 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 SCHEMBL4867530 0.88 TSHR (0.41) TSHRALDH1A1HTR1AMAOASLC6A2
SCHEMBL13989331 0.88 TSHR (0.49) TSHRALDH1A1LMNANPC1HPGD
Hydrochloric Acid SCHEMBL5201212 0.86 TSHR (0.48) TSHRALDH1A1LMNANPC1HPGD
Hydrochloric Acid SCHEMBL4874636 0.81 HTR1A (0.37) TSHRALDH1A1HTR1AMAOASLC6A2
Hydrochloric Acid SCHEMBL4872402 0.79 HTR1A (0.33) HTR1AMAOASLC6A2SLC6A4ADRA1A
Hydrochloric Acid SCHEMBL4874070 0.78 TSHR (0.38) TSHRALDH1A1HTR1AMAOASLC6A2
Hydrochloric Acid SCHEMBL4873431 0.76 HTR1A (0.34) TSHRALDH1A1HTR1AMAOASLC6A2
SCHEMBL16324914 0.76 RAB9A (0.38) TSHRALDH1A1SMN1; SMN2CYP1A2NPC1
SCHEMBL16324006 0.75 MAPT (0.38) TSHRALDH1A1SMN1; SMN2CYP1A2MAPT
SCHEMBL16324007 0.75 MAPT (0.38) TSHRALDH1A1SMN1; SMN2CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462204-B2 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds WELLA AG (DE) 2008-12-09 US claimed
US-20070056120-A1 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2007-03-15 US claimed
EP-1687280-A1 CATIONIC DIAMINOPYRAZOLES, A METHOD FOR THE PRODUCTION THEREOF AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2006-08-09 EP claimed
WO-2005051918-A1 CATIONIC DIAMINOPYRAZOLES, A METHOD FOR THE PRODUCTION THEREOF AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2005-06-09 WO claimed
WO-2014202152-A1 NEW COSMETIC COMPOSITIONS COMPRISING CATIONIC DYES AND PROCESS FOR DIRECT DYEING OF KERATIN FIBERS ALFA PARF GROUP S.P.A. (IT) 2014-12-24 WO disclosed
WO-2014202150-A1 NEW CATIONIC DYES, KITS AND COMPOSITIONS THEREOF, AND PROCESS FOR DYEING KERATIN FIBERS ALFA PARF GROUP S.P.A. (IT) 2014-12-24 WO disclosed
US-7462204-B2 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds WELLA AG (DE) 2008-12-09 US disclosed
US-20070056120-A1 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2007-03-15 US disclosed
EP-1687280-A1 CATIONIC DIAMINOPYRAZOLES, A METHOD FOR THE PRODUCTION THEREOF AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2006-08-09 EP disclosed
WO-2005051918-A1 CATIONIC DIAMINOPYRAZOLES, A METHOD FOR THE PRODUCTION THEREOF AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2005-06-09 WO 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 (1 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-20070056120-A1 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds KRT18, DSP, TUBA4A TSHR 4756/4885ALDH1A1 978/4885HTR1A 3416/4885

“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.