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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7176247

CC(=Nc1c(C(C)C)cc(C(C)C)cc1C(C)C)c1cc(C)cc(C(C)=Nc2c(C(C)C)cc(C(C)C)cc2C(C)C)n1.[Cl-].[Cl-].[Cl-].[Nd+3]

nearest known ligand 0.34

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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 6)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ FABP3 P05413 2/20 0.33
▸ FABP4 P15090 2/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ GAA P10253 1/20 0.31

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 SCHEMBL7175293 0.97 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL7176031 0.97 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL7174203 0.97 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL7180442 0.97 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL7180536 0.97 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL7176628 0.89 TRPA1 (0.30) —
Hydrochloric Acid SCHEMBL7185534 0.89 TRPA1 (0.30) —
Hydrochloric Acid SCHEMBL7179230 0.89 TRPA1 (0.30) —
Hydrochloric Acid SCHEMBL7179417 0.89 TRPA1 (0.30) —
Hydrochloric Acid SCHEMBL7178384 0.89 TRPA1 (0.30) —

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
EP-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 — — EP disclosed