Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6464432

CC1=C2c3c(-c4ccccc4)cccc3C1[Zr+2][C@H]1C(C)=C(c3c(-c4ccccc4)cccc31)[Si]2(C)C.[Cl-].[Cl-]

nearest known ligand 0.31

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 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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 SCHEMBL481289 1.00 PDCD1 (0.31) PDCD1CD274HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL6439096 1.00 PDCD1 (0.31) PDCD1CD274HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL7942022 0.90 EDNRB (0.32)
Hydrochloric Acid SCHEMBL7627498 0.90 EDNRB (0.30)
Hydrochloric Acid SCHEMBL4061874 0.88
Hydrochloric Acid SCHEMBL7935788 0.88 ENPP1 (0.32)
Hydrochloric Acid SCHEMBL4318451 0.86
Hydrochloric Acid SCHEMBL7942529 0.86
Hydrochloric Acid SCHEMBL7938880 0.86 CHRNB2 (0.33) HTR1ADRD2HTR7CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3808738 0.85 BRD4 (0.31)

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
US-6916886-B2 Propylene block copolymer JAPAN POLYPROPYLENE CORPORATION (JP) 2005-07-12 US disclosed