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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL12817993

CCCCCCc1cc(CCCCCC)cc([Si](C2=CCC([Ti+3])=C2C(C)(C)C)(c2cc(CCCCCC)cc(CCCCCC)c2)c2cc(CCCCCC)cc(CCCCCC)c2)c1.[Cl-].[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 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.34
▸ GPR84 Q9NQS5 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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 SCHEMBL12816017 0.84 PTGS2 (0.36) PTGS2GPR84CYP3A4
Hydrochloric Acid SCHEMBL12818125 0.82 PTGS2 (0.36) PTGS2GPR84CYP3A4
Hydrochloric Acid SCHEMBL12817112 0.81 PTGS2 (0.34) PTGS2GPR84CYP3A4
Hydrochloric Acid SCHEMBL10320194 0.81 PTGS2 (0.34) PTGS2GPR84CYP3A4
Hydrochloric Acid SCHEMBL12817598 0.79 PTGS2 (0.33) PTGS2GPR84CYP3A4
Hydrochloric Acid SCHEMBL12818027 0.78 HSD11B1 (0.36) PTGS2GPR84
Hydrochloric Acid SCHEMBL12818170 0.77 KCNH2 (0.38) PTGS2
Hydrochloric Acid SCHEMBL12815648 0.76 PTGS2 (0.36) PTGS2GPR84CYP3A4
Hydrochloric Acid SCHEMBL10317887 0.76 PTGS2 (0.37) PTGS2GPR84CYP3A4
Hydrochloric Acid SCHEMBL12817392 0.72 PTGS2 (0.37) PTGS2GPR84CYP3A4

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
WO-2012133919-A1 PROCESS FOR PRODUCING CATALYST FOR PRODUCING ETHYLENIC POLYMER, CATALYST FOR PRODUCING ETHYLENIC POLYMER AND PROCESS FOR PRODUCING ETHYLENIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 — — WO disclosed