Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7180672

CC(=Nc1c(C(C)C)cc(C)cc1C(C)C)c1cccc(C(C)=Nc2c(C(C)C)cc(C)cc2C(C)C)n1.[Cl-].[Cl-].[Cl-].[Nd+3]

nearest known ligand 0.35

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
SLC6A2 known ✓ P23975 2/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
HSP90AA1 P07900 1/20 0.31
LMNA P02545 3/20 0.31
HTR2B P41595 2/20 0.31
TRPA1 O75762 1/20 0.31
ADRA1A P35348 1/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2C P28335 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 SCHEMBL7176931 0.97 GABRA1 (0.32) GABRA1GABRG2GABRB3HSP90AA1LMNA
Hydrochloric Acid SCHEMBL7176822 0.97 GABRA1 (0.32) GABRA1GABRG2GABRB3HSP90AA1LMNA
Hydrochloric Acid SCHEMBL7175518 0.97 GABRA1 (0.32) GABRA1GABRG2GABRB3HSP90AA1LMNA
Hydrochloric Acid SCHEMBL7174370 0.97 GABRA1 (0.32) GABRA1GABRG2GABRB3HSP90AA1LMNA
Hydrochloric Acid SCHEMBL7178317 0.97 GABRA1 (0.32) GABRA1GABRG2GABRB3HSP90AA1LMNA
SCHEMBL5589024 0.97 GABRA1 (0.33) GABRA1GABRG2GABRB3HSP90AA1LMNA
SCHEMBL6910795 0.97 GABRA1 (0.33) GABRA1GABRG2GABRB3HSP90AA1LMNA
SCHEMBL5590045 0.95 GABRA1 (0.33) GABRA1GABRG2GABRB3HSP90AA1LMNA
SCHEMBL16999963 0.90 GABRA1 (0.37) GABRA1LMNAGABRB1MEN1KMT2A
SCHEMBL6912475 0.89 NOS3 (0.33) GABRA1HSP90AA1LMNAHPGDGABRB1

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