Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4097263

COc1cc2c(cc1OC)C(Cc1ccc(Cl)cc1Cl)=[N+](Cc1ccccc1F)CC2.[Cl-]

nearest known ligand 0.39

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 4/20 0.39
SLC6A2 known ✓ P23975 1/20 0.34
SLC6A3 known ✓ Q01959 1/20 0.34
P2RX7 Q99572 1/20 0.37
PDE4A P27815 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
EIF2AK1 Q9BQI3 1/20 0.36
MAPK10 P53779 2/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
BCHE P06276 2/20 0.35
COL1A1 P02452 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
SLC6A4 P31645 1/20 0.34

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 SCHEMBL4116829 0.89 ACHE (0.46) ACHEP2RX7PDE4AGPR84MAPT
SCHEMBL4790652 0.88 ACHE (0.46) ACHEP2RX7PDE4AGPR84MAPT
Hydrochloric Acid SCHEMBL4103100 0.84 ACHE (0.44) ACHEP2RX7PDE4AGPR84MAPT
Hydrochloric Acid SCHEMBL4098430 0.82 ACHE (0.45) ACHEP2RX7PDE4AGPR84MAPT
SCHEMBL4770459 0.81 ACHE (0.45) ACHEP2RX7PDE4AGPR84MAPT
Hydrochloric Acid SCHEMBL4103285 0.81 ACHE (0.41) ACHEP2RX7PDE4AGPR84MAPK10
Hydrochloric Acid SCHEMBL4109102 0.81 ACHE (0.43) ACHEP2RX7PDE4AGPR84MAPT
SCHEMBL4835382 0.80 ACHE (0.41) ACHEP2RX7PDE4AGPR84MAPK10
Hydrochloric Acid SCHEMBL4108986 0.80 ACHE (0.41) ACHEP2RX7PDE4AGPR84MAPT
Hydrochloric Acid SCHEMBL4098383 0.80 ACHE (0.43) ACHEPDE4AGPR84MAPTKDM4E

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 984/4885SLC6A2 53/4885SLC6A3 7/4885

“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.