Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4114622

CCCCCCC1=[N+](Cc2ccc(F)c(F)c2)CCc2cc(OC)c(OC)cc21.[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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.43
P2RX7 Q99572 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPK1 P28482 3/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 2/20 0.34
RAD52 P43351 2/20 0.34
EP300 Q09472 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
COL1A1 P02452 2/20 0.34
GPR84 Q9NQS5 1/20 0.33
KDM1A O60341 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 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 SCHEMBL4113603 1.00 ACHE (0.43) ACHEP2RX7HCRTR1HCRTR2KDM4E
Hydrochloric Acid SCHEMBL4113616 1.00 ACHE (0.43) ACHEP2RX7HCRTR1HCRTR2KDM4E
Hydrochloric Acid SCHEMBL4109071 1.00 ACHE (0.43) ACHEP2RX7HCRTR1HCRTR2KDM4E
SCHEMBL4764689 0.99 ACHE (0.44) ACHEP2RX7HCRTR1HCRTR2KDM4E
SCHEMBL4771916 0.99 ACHE (0.44) ACHEP2RX7HCRTR1HCRTR2KDM4E
Hydrochloric Acid SCHEMBL4117215 0.99 ACHE (0.44) ACHEP2RX7HCRTR1HCRTR2KDM4E
SCHEMBL4766979 0.99 ACHE (0.44) ACHEP2RX7HCRTR1HCRTR2KDM4E
SCHEMBL4762860 0.98 ACHE (0.45) ACHEP2RX7HCRTR1HCRTR2KDM4E
Hydrochloric Acid SCHEMBL4770338 0.92 ACHE (0.46) ACHEP2RX7HCRTR1HCRTR2KDM4E
SCHEMBL4772119 0.91 ACHE (0.47) ACHEP2RX7HCRTR1HCRTR2KDM4E

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 984/4885P2RX7 2386/4885HCRTR1 2394/4885

“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.