Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6410951

Cc1cc(N2CCN(CCCn3cc[n+](C)c3)CCN(c3ccc(N)c(C)c3)CC2)ccc1N.[Cl-]

nearest known ligand 0.54

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
GAA P10253 3/20 0.54
RAD52 P43351 1/20 0.54
KCNH2 Q12809 5/20 0.40
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
PTK2B Q14289 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6151173 0.99 GAA (0.55) GAARAD52KCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL5707956 0.93 GAA (0.56) GAARAD52KCNH2MAPTMAPK1
SCHEMBL5707930 0.92 GAA (0.58) GAARAD52KCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL5707958 0.89 GAA (0.52) GAARAD52KCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL6413349 0.84 MAPT (0.49) GAARAD52KCNH2MAPTMAPK1
SCHEMBL6151485 0.83 MAPT (0.50) GAARAD52KCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL2535075 0.79 GAA (0.38) GAARAD52MAPTMAPK1HTT
SCHEMBL5203962 0.78 GAA (0.65) GAARAD52KCNH2MAPTMAPK1
Hydrochloric Acid SCHEMBL5707967 0.78 GAA (0.46) GAARAD52MAPTHTTRAB9A
Hydrochloric Acid SCHEMBL6415215 0.78 GAA (0.46) GAARAD52MAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres L'OREAL S.A. (FR) 2005-06-09 US claimed

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-20050120494-A1 Triazacyclononane derivatives substituted on at least one of the nitrogen atoms with a substituted or unsubstituted 4'-aminophenyl group, for dyeing keratin fibres KRT18, TUBB6, TUBB1 GAA 4694/4885RAD52 553/4885KCNH2 394/4885

“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.