Bicarbonate

Bicarbonate

SCHEMBL28020933

CC(=O)OC(C)(C)C.O=C(O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

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
GAA P10253 2/20 0.46
DGAT1 O75907 1/20 0.40
ALDH1A1 P00352 5/20 0.37
TSHR P16473 4/20 0.37
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ELANE P08246 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
Hydrogen Peroxide SCHEMBL3021120 0.97 GAA (0.48) GAADGAT1ALDH1A1TSHRFFAR3
Acetic Acid SCHEMBL25259384 0.94 GAA (0.46) GAADGAT1ALDH1A1TSHRFFAR3
Acetic Acid SCHEMBL2928244 0.94 GAA (0.46) GAADGAT1ALDH1A1TSHRFFAR3
Acetic Acid SCHEMBL28991773 0.94 GAA (0.46) GAADGAT1ALDH1A1TSHRFFAR3
SCHEMBL26684 0.94
SCHEMBL28342310 0.94 GAA (0.50) GAADGAT1ALDH1A1TSHRTDP1
SCHEMBL28745990 0.94 GAA (0.50) GAADGAT1ALDH1A1TSHRTDP1
SCHEMBL28358909 0.94 GAA (0.50) GAADGAT1ALDH1A1TSHRTDP1
Benzene SCHEMBL28127867 0.91 GAA (0.44) GAADGAT1ALDH1A1TSHRTDP1
Oxalic Acid SCHEMBL7276502 0.91 GAA (0.44) GAADGAT1ALDH1A1TSHRFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110326150-A Nonaqueous electrolyte solution and electricity storage device 三菱化学株式会社 2019-10-11 CN disclosed
CN-105830272-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-08-06 CN disclosed
CN-104685693-B electrolyte, electrochemical device, lithium battery and module 大金工业株式会社 2018-08-31 CN disclosed
CN-105830272-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2016-08-03 CN disclosed
CN-104685693-A Electrolyte solution, electrochemical device, lithium battery, and module DAIKIN IND LTD 2015-06-03 CN disclosed