Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4110993

CCCCCCCCCCCCCCCC1=[N+](Cc2ccc(F)cc2)CCc2cc(OC)c(OC)cc21.[Cl-]

nearest known ligand 0.45

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 5/20 0.45
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ABCB1 P08183 2/20 0.38
P2RX7 Q99572 1/20 0.37
COL1A1 P02452 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
RAD52 P43351 2/20 0.36
PSMD14 O00487 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
MC4R P32245 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
EP300 Q09472 1/20 0.35
PPARG P37231 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
SCHEMBL4762868 0.99 ACHE (0.46) ACHEKMT2AKCNH2TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL4109315 0.90 ACHE (0.46) ACHEKMT2AABCB1P2RX7COL1A1
Hydrochloric Acid SCHEMBL4108766 0.90 ACHE (0.46) ACHEKMT2AABCB1P2RX7COL1A1
Hydrochloric Acid SCHEMBL4097795 0.90 ACHE (0.46) ACHEABCB1P2RX7PPARGPPARA
Hydrochloric Acid SCHEMBL4104174 0.90 ACHE (0.46) ACHEABCB1P2RX7PPARGPPARA
Hydrochloric Acid SCHEMBL4113694 0.90 ACHE (0.46) ACHEABCB1P2RX7PPARGPPARA
Hydrochloric Acid SCHEMBL4097852 0.90 ACHE (0.46) ACHEKMT2AABCB1P2RX7COL1A1
Hydrochloric Acid SCHEMBL4113616 0.90 ACHE (0.43) ACHEP2RX7COL1A1RAD52KDM4E
Hydrochloric Acid SCHEMBL4113603 0.90 ACHE (0.43) ACHEP2RX7COL1A1RAD52KDM4E
Hydrochloric Acid SCHEMBL4109071 0.90 ACHE (0.43) ACHEP2RX7COL1A1RAD52KDM4E

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 984/4885KMT2A 779/4885KCNH2 26/4885

“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.