Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4478037

CCCCC1=Cc2c(-c3ccc(CCCC)cc3)cccc2C1[Zr+2][Si](C)C.[Cl-].[Cl-]

nearest known ligand 0.34

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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 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.30
HSD11B1 P28845 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
RARB P10826 1/20 0.32
PSMB5 P28074 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRS3 P32247 1/20 0.30
TLR8 Q9NR97 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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 SCHEMBL4465475 0.97 SLC6A2 (0.35) HSD11B1RARBTP53TSHRRAB9A
Hydrochloric Acid SCHEMBL4480043 0.97 SLC6A2 (0.35) HSD11B1RARBTP53TSHRRAB9A
Hydrochloric Acid SCHEMBL4462941 0.97
Hydrochloric Acid SCHEMBL4470345 0.97 HSD11B1 (0.32) HSD11B1NISCHRARBPSMB5NPC1
Hydrochloric Acid SCHEMBL4465423 0.96 SLC6A2 (0.35) HSD11B1RARBTP53TSHRRAB9A
Hydrochloric Acid SCHEMBL4463712 0.94 EDNRB (0.32)
Hydrochloric Acid SCHEMBL4463469 0.94 HSD11B1 (0.32) HSD11B1NISCHRARBPSMB5NPC1
Hydrochloric Acid SCHEMBL4457513 0.92 SLC6A2 (0.35) HSD11B1RARBTP53TSHRRAB9A
Hydrochloric Acid SCHEMBL4463394 0.92 SLC6A2 (0.33) HSD11B1RARBTP53TSHRRAB9A
Hydrochloric Acid SCHEMBL4465218 0.91 HSD11B1 (0.33) HSD11B1RARBTP53TSHRTLR8

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
US-7569651-B2 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2009-08-04 US disclosed
US-7342078-B2 Transition metal compound, ligand system, catalyst system and the use of the latter for polymerisation and copolymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2008-03-11 US disclosed
US-20060020096-A1 Transition metal compound, ligand system, catalyst system and its use for the polymerization and copolymerization of olefins SCHOTTEK JORG 2006-01-26 US disclosed