Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4098439

COc1ccc2c(c1)CC[N+](Cc1ccccc1F)=C2c1ccccc1F.[Cl-]

nearest known ligand 0.43

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 16)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.43
GPR84 Q9NQS5 3/20 0.42
CYP24A1 Q07973 6/20 0.41
CYP27A1 Q02318 3/20 0.41
CYP26A1 O43174 1/20 0.40
MAPK14 Q16539 1/20 0.39
RXRA P19793 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MPO P05164 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL4770378 0.99 ACHE (0.44) ACHEGPR84CYP24A1CYP27A1CYP26A1
Hydrochloric Acid SCHEMBL4103773 0.86 ACHE (0.44) ACHEGPR84CYP24A1CYP27A1CYP26A1
Hydrochloric Acid SCHEMBL4098686 0.85 ACHE (0.44) ACHEGPR84MAPTKMT2ARAB9A
SCHEMBL4764316 0.85 ACHE (0.45) ACHEGPR84CYP24A1CYP27A1CYP26A1
Hydrochloric Acid SCHEMBL4109079 0.85 ACHE (0.40) ACHEGPR84CYP24A1CYP27A1CYP26A1
Hydrochloric Acid SCHEMBL4108238 0.84 CYP24A1 (0.46) ACHEGPR84CYP24A1CYP27A1CYP26A1
SCHEMBL4828302 0.84 ACHE (0.45) ACHEGPR84MAPTKMT2ARAB9A
Hydrochloric Acid SCHEMBL4109322 0.83 ACHE (0.43) ACHEGPR84CYP24A1CYP27A1CYP26A1
SCHEMBL4766748 0.83 CYP24A1 (0.47) ACHEGPR84CYP24A1CYP27A1CYP26A1
Hydrochloric Acid SCHEMBL4097040 0.83 ACHE (0.42) ACHEGPR84CYP24A1CYP27A1CYP26A1

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 984/4885GPR84 3438/4885CYP24A1 3082/4885

“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.