Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6898160

CCCCCCc1ccc(-c2cccc3c2C=C(c2ccc(C)o2)C3[Zr+2]C2C(c3ccc(C)o3)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1.[Cl-].[Cl-]

nearest known ligand 0.33

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 3/20 0.31
SLC6A3 known ✓ Q01959 2/20 0.30
CHRM2 known ✓ P08172 1/20 0.30
CHRM1 known ✓ P11229 1/20 0.30
CHRM3 known ✓ P20309 1/20 0.30
ACHE known ✓ P22303 1/20 0.30
RARB P10826 7/20 0.33
HSD11B1 P28845 3/20 0.33
TOP2A P11388 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
RARA P10276 1/20 0.31
MAPT P10636 1/20 0.31
MTOR P42345 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A4 P31645 3/20 0.31
HTR2C P28335 2/20 0.31
DRD2 P14416 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 SCHEMBL6904729 0.96 HSD11B1 (0.32) HSD11B1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6904150 0.92
Hydrochloric Acid SCHEMBL6901874 0.89 ALOX5 (0.32) RARBHSD11B1HSD17B10TSHRALDH1A1
Hydrochloric Acid SCHEMBL6900458 0.89 ALOX5 (0.34) RARBHSD11B1HSD17B10TSHRALDH1A1
Hydrochloric Acid SCHEMBL6901804 0.89 HSD11B1 (0.36) RARBHSD11B1ALDH1A1MEN1RARA
Hydrochloric Acid SCHEMBL6905351 0.89 EDNRB (0.31)
SCHEMBL6901831 0.85 RARB (0.35) RARBHSD11B1TOP2AHSD17B10TSHR
Hydrochloric Acid SCHEMBL6903364 0.85 CHRM2 (0.34) ALDH1A1MAPTCHRM2CHRM5CHRM1
Hydrochloric Acid SCHEMBL6903263 0.85 EIF4A1 (0.36) HSD11B1
Hydrochloric Acid SCHEMBL6901945 0.85 CHRM2 (0.32) ALDH1A1MAPTCHRM2CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed