Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4101882

CC(C)(C)c1ccc(C2=[N+](Cc3ccc(F)c(F)c3)CCc3cc4c(cc32)OCO4)cc1.[Cl-]

nearest known ligand 0.41

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
ACHE known ✓ P22303 10/20 0.38
CHRM1 known ✓ P11229 2/20 0.32
BCHE P06276 10/20 0.38
PREP P48147 8/20 0.38
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
KCNH2 Q12809 3/20 0.32
SIGMAR1 Q99720 3/20 0.32
TMEM97 Q5BJF2 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
DRD2 P14416 2/20 0.32

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 SCHEMBL4104089 0.89 BCHE (0.43) BCHEACHEPREPALDH1A1HTT
Hydrochloric Acid SCHEMBL4103480 0.85 P2RX7 (0.36) BCHEACHEPREPALDH1A1HTT
SCHEMBL4892415 0.84 SMN1; SMN2 (0.36) BCHEACHEPREPALDH1A1HTT
Hydrochloric Acid SCHEMBL4116137 0.83 ACHE (0.40) BCHEACHEPREPALDH1A1HTT
Hydrochloric Acid SCHEMBL4107062 0.81 BCHE (0.38) BCHEACHEPREPALDH1A1HTT
SCHEMBL4837803 0.80 BCHE (0.38) BCHEACHEPREPALDH1A1HTT
Hydrochloric Acid SCHEMBL4113599 0.77 SMN1; SMN2 (0.38) BCHEACHEPREPALDH1A1HTT
Hydrochloric Acid SCHEMBL4104222 0.74 SCN1A (0.34) BCHEACHEPREPALDH1A1HTT
Hydrochloric Acid SCHEMBL4108183 0.74 SCN1A (0.34) BCHEACHEPREPALDH1A1HTT
Hydrochloric Acid SCHEMBL4098418 0.74 P2RX7 (0.39) BCHEACHEPREPALDH1A1HPGD

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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives HANWHA CHEMICAL CORPORATION (KR) 2009-09-03 US 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-20090221829-A1 3,4-Dihydroisoquinolinium Salt Derivatives KCNQ3, KCNQ1, KCNQ2 ACHE 984/4885CHRM1 2027/4885BCHE 1438/4885

“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.