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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6905758

C=[Ti+2](C1(C)C(C)=C(C)c2c(C)cccc21)C1(C)C(C)=C(C)c2c(C)cccc21.[Cl-].[Cl-]

nearest known ligand 0.32

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 2)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.32
▸ CD44 P16070 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
SCHEMBL4652401 0.72 CD44 (0.37) PDK2CD44
SCHEMBL7797075 0.64 PDK2 (0.31) PDK2CD44
SCHEMBL3353069 0.63 PDK2 (0.33) PDK2CD44
SCHEMBL28613659 0.61 HTR7 (0.49) PDK2CD44
SCHEMBL4021982 0.59 ACHE (0.57) CD44
SCHEMBL20886845 0.58 DAO (0.39) PDK2CD44
SCHEMBL1589873 0.58 PDK2 (0.44) PDK2CD44
SCHEMBL1031388 0.57 PDK2 (0.43) PDK2CD44
SCHEMBL28349484 0.57 CA1 (0.44) PDK2CD44
SCHEMBL19113478 0.57 PDK2 (0.56) PDK2CD44

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
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 — — US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 — — US disclosed