Bicarbonate

Bicarbonate

SCHEMBL28055587

O=C(O)O.c1ccc(Cc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.56

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Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
FOLH1 Q04609 1/20 0.53
DPP4 P27487 1/20 0.50
PTPN1 P18031 3/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL31070319 0.92 DPP4 (0.58) KMT2AFOLH1DPP4BCL2BCL2L1
SCHEMBL340250 0.92 DPP4 (0.58) KMT2AFOLH1DPP4BCL2BCL2L1
Hydrogen Sulfide SCHEMBL27779487 0.90 DPP4 (0.56) KMT2AFOLH1DPP4PTPN1BCL2
Phenol SCHEMBL27575460 0.86 KEAP1 (0.50) KMT2AFOLH1DPP4PTPN1BCL2
SCHEMBL29484232 0.83 DPP4 (0.54) KMT2AFOLH1DPP4FFAR1FFAR4
SCHEMBL29484236 0.83 DPP4 (0.54) KMT2AFOLH1DPP4FFAR1FFAR4
SCHEMBL28825976 0.83 DPP4 (0.48) KMT2AFOLH1DPP4PTPN1BCL2
SCHEMBL9474651 0.83 LMNA (0.64) KMT2AFOLH1PTGER1PTGER4PTGER3
SCHEMBL9474898 0.83 LMNA (0.64) KMT2AFOLH1FFAR1FFAR4L3MBTL1
SCHEMBL14720214 0.83 PLA2G10 (0.64) KMT2AFOLH1PTGER1PTGER4PTGER3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105324879-B The carbonate products containing xenyl used in nonaqueous electrolytic solution, the electric energy storage device for having used the nonaqueous electrolytic solution and the nonaqueous electrolytic solution 宇部兴产株式会社 2018-07-27 CN claimed
CN-105324879-A Nonaqueous electrolyte solution, electricity storage device using same, and biphenyl group-containing carbonate compound used in same UBE INDUSTRIES 2016-02-10 CN claimed
CN-105324879-B The carbonate products containing xenyl used in nonaqueous electrolytic solution, the electric energy storage device for having used the nonaqueous electrolytic solution and the nonaqueous electrolytic solution 宇部兴产株式会社 2018-07-27 CN disclosed
CN-105324879-A Nonaqueous electrolyte solution, electricity storage device using same, and biphenyl group-containing carbonate compound used in same UBE INDUSTRIES 2016-02-10 CN disclosed