Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7928172

CC1=Cc2c(C(C)C)cccc2C1[Zr+2](=C(c1ccccc1)c1ccccc1)C1C(C)=Cc2c(C(C)C)cccc21.[Cl-].[Cl-]

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 1/20 0.31
LMNA P02545 3/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 3/20 0.31
GABRB2 P47870 2/20 0.31
GABRB1 P18505 2/20 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
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
HTR2B P41595 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 SCHEMBL7930380 0.83 GABRA1 (0.34) LMNAGABRA1GABRB2GABRB1FAAH
Hydrochloric Acid SCHEMBL438399 0.83
Hydrochloric Acid SCHEMBL5003641 0.81
Hydrochloric Acid SCHEMBL7929729 0.80 PDCD1 (0.33)
Hydrochloric Acid SCHEMBL2870984 0.78
Hydrochloric Acid SCHEMBL7928154 0.77 GABRA1 (0.32) LMNAGABRA1GABRB2GABRB1FAAH
Hydrochloric Acid SCHEMBL2867538 0.77 PDCD1 (0.31)
Hydrochloric Acid SCHEMBL3734808 0.76 ALDH1A1 (0.30) TSHR
Hydrochloric Acid SCHEMBL31024191 0.76 LMNA (0.39) LMNA
Hydrochloric Acid SCHEMBL437861 0.76 LMNA (0.39) LMNA

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-1153938-A1 CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-14 EP disclosed