Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4097795

CCCCCCCC1=[N+](Cc2ccc(OC)cc2)CCc2cc(OC)c(OC)cc21.[Cl-]

nearest known ligand 0.46

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 15)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.46
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
P2RX7 Q99572 2/20 0.37
ABCB1 P08183 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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 SCHEMBL4113694 1.00 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
Hydrochloric Acid SCHEMBL4104174 1.00 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
Hydrochloric Acid SCHEMBL4105804 0.99 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
SCHEMBL4770194 0.99 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
SCHEMBL4770542 0.99 ACHE (0.46) ACHEHTR2AALDH1A1LMNAP2RX7
SCHEMBL4771786 0.98 ACHE (0.47) ACHEHTR2AALDH1A1LMNAP2RX7
Hydrochloric Acid SCHEMBL4097852 0.91 ACHE (0.46) ACHEP2RX7ABCB1PPARGPPARA
Hydrochloric Acid SCHEMBL4108766 0.91 ACHE (0.46) ACHEP2RX7ABCB1PPARGPPARA
Hydrochloric Acid SCHEMBL4109315 0.91 ACHE (0.46) ACHEP2RX7ABCB1PPARGPPARA
Hydrochloric Acid SCHEMBL4110993 0.90 ACHE (0.45) ACHEP2RX7ABCB1PPARGPPARA

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 984/4885HTR2A 2574/4885ALDH1A1 369/4885

“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.