Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4098074

COc1cc2c(cc1OC)C(c1cccc(C(F)(F)F)c1)=[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 2/20 0.39
PDE4A P27815 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
P2RX7 Q99572 1/20 0.36
COL1A1 P02452 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RORB Q92753 2/20 0.34
RORC P51449 1/20 0.34
PDGFRB P09619 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MAPT P10636 2/20 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 SCHEMBL4109078 0.87 MAPK10 (0.46) ACHEPDE4AGPR84P2RX7
SCHEMBL4829233 0.85 MAPK10 (0.47) ACHEPDE4AGPR84P2RX7COL1A1
Hydrochloric Acid SCHEMBL4097786 0.85 ACHE (0.41) ACHEPDE4AGPR84P2RX7COL1A1
Hydrochloric Acid SCHEMBL4114604 0.85 ACHE (0.40) ACHEPDE4AGPR84P2RX7COL1A1
Hydrochloric Acid SCHEMBL4110986 0.84 ACHE (0.42) ACHEPDE4AGPR84P2RX7COL1A1
SCHEMBL4792771 0.83 ACHE (0.40) ACHEPDE4AGPR84P2RX7COL1A1
Hydrochloric Acid SCHEMBL4098686 0.83 ACHE (0.44) ACHEPDE4AGPR84COL1A1KDM4E
Hydrochloric Acid SCHEMBL4103285 0.82 ACHE (0.41) ACHEPDE4AGPR84P2RX7COL1A1
Hydrochloric Acid SCHEMBL4103757 0.82 ACHE (0.42) ACHEPDE4AGPR84P2RX7COL1A1
SCHEMBL4828302 0.82 ACHE (0.45) ACHEPDE4AGPR84P2RX7COL1A1

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 984/4885PDE4A 1611/4885GPR84 3438/4885

“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.