Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3769735

COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)c3cc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O.[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 19)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.46
F2 P00734 1/20 0.71
DPP4 P27487 2/20 0.63
CD38 P28907 2/20 0.63
TYR P14679 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOA P21397 1/20 0.48
SLC28A3 Q9HAS3 2/20 0.47
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
PTGS1 P23219 1/20 0.45
EPHX2 P34913 1/20 0.45

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 SCHEMBL316878 1.00 F2 (0.71) F2DPP4CD38TYRMEN1
Hydrochloric Acid SCHEMBL316879 1.00 F2 (0.71) F2DPP4CD38TYRMEN1
Hydrochloric Acid SCHEMBL3767542 0.99 F2 (0.70) F2DPP4CD38TYRMEN1
SCHEMBL6139298 0.99 F2 (0.72) F2DPP4CD38TYRMEN1
SCHEMBL6139200 0.99 F2 (0.72) F2DPP4CD38TYRMEN1
SCHEMBL662073 0.99 F2 (0.72) F2DPP4CD38TYRMEN1
Hydrochloric Acid SCHEMBL30540085 0.97 F2 (0.73) F2DPP4CD38TYRMEN1
SCHEMBL29532883 0.96 F2 (0.75) F2DPP4CD38TYRMEN1
Oenin SCHEMBL723403 0.93 CD38 (0.73) F2DPP4CD38TYRMEN1
Oenin SCHEMBL1096836 0.93 CD38 (0.73) F2DPP4CD38TYRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078202-A1 INHIBITION OF THE FORMATION OF AGEs BASF BEAUTY CARE SOLUTIONS FRANCE S.A.S. (FR) 2013-03-28 US disclosed
US-20100316743-A1 INHIBITION OF THE FORMATION OF AGEs BASF BEAUTY CARE SOLUTIONS FRANCE S.A.S. (FR) 2010-12-16 US disclosed
CN-101686954-A The inhibition that AGE forms BASF BEAUTY CARE SOLUTIONS F 2010-03-31 CN 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-20100316743-A1 INHIBITION OF THE FORMATION OF AGEs AGER, GLA, S100A6 ACHE 424/4885F2 941/4885DPP4 192/4885
US-20130078202-A1 INHIBITION OF THE FORMATION OF AGEs AGER, GLA, S100A6 ACHE 424/4885F2 941/4885DPP4 192/4885

“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.