Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7938880

C[Si]1(C)C2=C(c3ccccc3)C([Zr+2]C3C(c4ccccc4)=C1c1c(-c4ccccc4)cccc13)c1cccc(-c3ccccc3)c12.[Cl-].[Cl-]

nearest known ligand 0.33

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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 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 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 SCHEMBL3694697 0.94 EDNRB (0.34)
Hydrochloric Acid SCHEMBL3687227 0.90 EDNRB (0.38)
Hydrochloric Acid SCHEMBL3688240 0.90 MEN1 (0.30)
Hydrochloric Acid SCHEMBL3685190 0.90 KIF11 (0.31)
Hydrochloric Acid SCHEMBL3687089 0.88 EDNRB (0.30)
Hydrochloric Acid SCHEMBL3687646 0.86 ABCB1 (0.30)
Hydrochloric Acid SCHEMBL3686338 0.86 PTGS2 (0.36) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3690696 0.86 HSD11B1 (0.38)
Hydrochloric Acid SCHEMBL6464432 0.86 PDCD1 (0.31) CHRNB2CHRNA4HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL6439096 0.86 PDCD1 (0.31) CHRNB2CHRNA4HTR1ADRD2HTR7

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-0751156-B1 Ethylene copolymer rubber, vulcanizable rubber composition containing the copolymer rubber, and process for preparing the copolymer rubber MITSUI CHEMICALS INC (JP) 2001-09-05 EP disclosed