Bicarbonate

Bicarbonate

SCHEMBL28313995

C=CCC(=O)OCC(C)=O.O=C(O)O

nearest known ligand 0.41

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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 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30

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
SCHEMBL16981751 0.96 ALDH1A1 (0.40) GAAALDH1A1HTTTDP1TSHR
SCHEMBL15234311 0.80 ALDH1A1 (0.44) GAAALDH1A1HTTTDP1TSHR
Bicarbonate SCHEMBL27700582 0.78 GAA (0.48) GAAALDH1A1HTTTSHRMGAM
SCHEMBL7059955 0.78 ALDH1A1 (0.41) GAAALDH1A1HTTTDP1TSHR
Acetic Acid SCHEMBL27779067 0.77 TSHR (0.48) GAAALDH1A1HTTTDP1TSHR
Acetic Acid SCHEMBL28107594 0.77 GAA (0.46) GAAALDH1A1HTTTSHRMGAM
SCHEMBL20868607 0.76 ALDH1A1 (0.40) GAAALDH1A1HTT
SCHEMBL16981750 0.76 MGAM (0.33) GAAMGAMSIMGAM2
Acetic Acid SCHEMBL9774425 0.75 GAA (0.44) GAAALDH1A1HTTTSHRMGAM
SCHEMBL11970000 0.74 HTT (0.42) GAAALDH1A1HTTTDP1TSHR

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
CN-110100348-A Electrolyte solution, electrochemical device, lithium ion secondary battery, and assembly 大金工业株式会社 2019-08-06 CN disclosed