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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL27477259

CCC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Zr+2]C1C(CC)=Cc2c(C(C)C)cc(C(C)C)cc21.[Cl-].[Cl-]

nearest known ligand 0.31

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 4)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ FABP3 P05413 1/20 0.30
▸ FABP4 P15090 1/20 0.30

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 SCHEMBL27479712 0.81 GABRA1 (0.32) GABRA1GABRB2FABP3FABP4
Hydrochloric Acid SCHEMBL8535091 0.81 GABRA1 (0.32) GABRA1GABRB2FABP3FABP4
Hydrochloric Acid SCHEMBL29612295 0.80 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4
Hydrochloric Acid SCHEMBL1685534 0.80 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4
Hydrochloric Acid SCHEMBL27477686 0.79 FABP3 (0.33) GABRA1GABRB2FABP3FABP4
SCHEMBL4622600 0.79 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4
SCHEMBL5860051 0.79 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4
Hydrochloric Acid SCHEMBL8602910 0.77 — —
Fluoride Ion SCHEMBL7639206 0.77 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4
Bromide SCHEMBL27546908 0.77 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4

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
CN-1160055-A Process for reducing by-product in product mixture HOECHST AG (DE) 1997-09-24 — — CN disclosed