Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7924563

CC1C2=C(CCCC2)C2=C1C([Ti+2]OC(=O)c1ccccc1)CCC2.[Cl-].[Cl-]

nearest known ligand 0.34

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
CHRM2 known ✓ P08172 1/20 0.32
CHRM1 known ✓ P11229 1/20 0.32
CHRM3 known ✓ P20309 1/20 0.32
SLC6A2 known ✓ P23975 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.32
LMNA P02545 2/20 0.34
F2 P00734 1/20 0.34
CHRNA7 P36544 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA5 P30532 1/20 0.33
CHRNA4 P43681 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
MCL1 Q07820 1/20 0.33
TSHR P16473 1/20 0.33
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL7928350 0.96 LMNA (0.33) LMNAF2CHRNA7CHRNB2CHRNA5
Hydrochloric Acid SCHEMBL7925867 0.88 KMT2A (0.35) KMT2AMEN1SLC6A4SLC6A3MAPT
SCHEMBL7928302 0.85 MEN1 (0.35) KMT2AMEN1SLC6A4SLC6A3MAPT
Hydrochloric Acid SCHEMBL7930903 0.84 KCNN4 (0.36) ALDH1A1
Hydrochloric Acid SCHEMBL7927331 0.84 GAA (0.36) LMNAKMT2AALDH1A1
SCHEMBL8173106 0.81 PKM (0.37) LMNAKMT2AMEN1CYP1A2CYP2D6
SCHEMBL7927359 0.81 KCNN4 (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL7924955 0.81
SCHEMBL7919162 0.80
Hydrochloric Acid SCHEMBL7927206 0.80

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed