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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7183084

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

nearest known ligand 0.35

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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 7)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRB2 P47870 1/20 0.33
▸ FABP4 P15090 3/20 0.33
▸ FABP3 P05413 2/20 0.33
▸ FABP5 Q01469 1/20 0.32
▸ GAA P10253 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 SCHEMBL7180567 0.97 GABRA1 (0.35) GABRA1GABRB1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL7185132 0.97 GABRA1 (0.35) GABRA1GABRB1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL7177500 0.97 GABRA1 (0.35) GABRA1GABRB1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL7182108 0.97 GABRA1 (0.35) GABRA1GABRB1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL7182410 0.97 GABRA1 (0.35) GABRA1GABRB1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL7182178 0.97 GABRA1 (0.35) GABRA1GABRB1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL7181985 0.89 GABRA1 (0.35) GABRA1GABRB1
Hydrochloric Acid SCHEMBL7176247 0.87 GABRA1 (0.34) GABRA1GABRB2FABP4FABP3FABP5
Hydrochloric Acid SCHEMBL7181964 0.86 LMNA (0.35) GABRA1GABRB1GABRB2GAA
Hydrochloric Acid SCHEMBL7181906 0.86 GABRA1 (0.35) GABRA1GABRB1

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