Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2059991

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(Cc1ccccc1)Cc1ccccc1.[Cl-]

nearest known ligand 0.71

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
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
TP53 P04637 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MAPK1 P28482 1/20 0.71
HTT P42858 2/20 0.69
DNM1 Q05193 4/20 0.68
SLC22A1 O15245 2/20 0.50
PSMD14 O00487 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MMP2 P08253 1/20 0.49
MC4R P32245 1/20 0.49
RAD52 P43351 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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 SCHEMBL5088595 1.00 MEN1 (0.71) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL5088205 1.00 MEN1 (0.71) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL5087607 1.00 MEN1 (0.71) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL5087145 1.00 MEN1 (0.71) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL5086997 1.00 MEN1 (0.71) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL5092098 1.00 MEN1 (0.71) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL5085177 1.00 MEN1 (0.71) MEN1KMT2ATP53SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL5087726 0.98 MEN1 (0.68) MEN1KMT2ATP53SMN1; SMN2MAPK1
SCHEMBL11709348 0.98 DNM1 (0.70) MEN1KMT2ATP53SMN1; SMN2MAPK1
SCHEMBL16594023 0.98 DNM1 (0.70) MEN1KMT2ATP53SMN1; SMN2MAPK1

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 8 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
EP-2241304-B1 DENTAL ORAL COMPOSITION UNIV OKAYAMA NAT UNIV CORP (JP) 2015-03-25 EP 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

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 MEN1 4469/4885KMT2A 3692/4885TP53 2263/4885
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES DDOST, PPM1G, PHOSPHO1 MEN1 4652/4885KMT2A 4167/4885TP53 2744/4885

“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.