Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28670211

Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccccc3)C2[Zr+2]C2C(c3ccco3)=Cc3c2ccc(C)c3-c2ccccc2)o1.[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 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA2B P29275 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 SCHEMBL30312734 0.92 PTGS1 (0.39) ADORA2AADORA1ADORA3PTGS1PTGS2
Hydrochloric Acid SCHEMBL30312708 0.92 PTGS1 (0.39) ADORA2AADORA1ADORA3PTGS1PTGS2
Hydrochloric Acid SCHEMBL28655715 0.88 PTGS1 (0.36) ADORA2AADORA1PTGS1PTGS2
Hydrochloric Acid SCHEMBL28329694 0.86 PTGS1 (0.34) PTGS1PTGS2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL28329691 0.85 PTGS1 (0.34) ADORA2AADORA1PTGS1PTGS2
SCHEMBL22499663 0.84 PTGS1 (0.34) ADORA2AADORA1ADORA3PTGS1PTGS2
SCHEMBL28670209 0.82 PTGS1 (0.33) ADORA2AADORA1ADORA3PTGS1PTGS2
Hydrochloric Acid SCHEMBL28878396 0.81
Hydrochloric Acid SCHEMBL28660133 0.80 PTGS1 (0.30) PTGS1PTGS2
Hydrochloric Acid SCHEMBL30312730 0.80 ALOX5 (0.32) PTGS1PTGS2

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
CN-113631591-B Process for producing catalyst component for olefin polymerization, process for producing catalyst for olefin polymerization, and process for producing olefin polymer 日本聚丙烯株式会社 2023-05-05 CN disclosed
CN-110483670-B Metallocene complex and process for producing olefin polymer 日本聚丙烯株式会社 2021-11-30 CN disclosed