Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4097924

CCCCCCC1=[N+](Cc2ccc(C(F)(F)F)cc2)CCc2cc(OC)c(OC)cc21.[Cl-]

nearest known ligand 0.44

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 14)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 4/20 0.43
COL1A1 P02452 1/20 0.44
KMT2A Q03164 1/20 0.36
PDIA4 P13667 1/20 0.36
PDIA3 P30101 1/20 0.36
PDIA6 Q15084 1/20 0.36
BCHE P06276 1/20 0.35
PREP P48147 1/20 0.35
P2RX7 Q99572 2/20 0.35
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
MTNR1B P49286 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
PPARD Q03181 1/20 0.33

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 SCHEMBL4098415 1.00 COL1A1 (0.44) COL1A1ACHEKMT2APDIA4PDIA3
Hydrochloric Acid SCHEMBL4108532 1.00 COL1A1 (0.44) COL1A1ACHEKMT2APDIA4PDIA3
Hydrochloric Acid SCHEMBL4105399 1.00 COL1A1 (0.44) COL1A1ACHEKMT2APDIA4PDIA3
SCHEMBL4770654 0.99 COL1A1 (0.45) COL1A1ACHEKMT2APDIA4PDIA3
SCHEMBL4768195 0.99 COL1A1 (0.45) COL1A1ACHEKMT2APDIA4PDIA3
SCHEMBL4770482 0.99 COL1A1 (0.45) COL1A1ACHEKMT2APDIA4PDIA3
Hydrochloric Acid SCHEMBL4116826 0.99 COL1A1 (0.45) COL1A1ACHEKMT2APDIA4PDIA3
SCHEMBL4772170 0.98 COL1A1 (0.45) COL1A1ACHEKMT2APDIA4PDIA3
Hydrochloric Acid SCHEMBL4107304 0.91 ACHE (0.43) COL1A1ACHEP2RX7PPARAPPARG
Hydrochloric Acid SCHEMBL4109378 0.91 ACHE (0.43) COL1A1ACHEP2RX7PPARAPPARG

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 984/4885COL1A1 4702/4885KMT2A 779/4885

“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.