Bicarbonate

Bicarbonate

SCHEMBL9752344

NN.O=C(O)O.O=C(O)O

nearest known ligand 0.71

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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
CA1 P00915 1/20 0.71
CA2 P00918 1/20 0.71
CA9 Q16790 1/20 0.71
ACHE P22303 1/20 0.56
LDHA P00338 2/20 0.46
LDHB P07195 1/20 0.46
OR51E2 Q9H255 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLRA1 P23415 1/20 0.42
SLC6A9 P48067 1/20 0.42
FFAR3 O14843 2/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
TSHR P16473 4/20 0.33
EGLN1 Q9GZT9 2/20 0.33

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
Bicarbonate SCHEMBL221075 1.00
Bicarbonate SCHEMBL743552 1.00
Bicarbonate SCHEMBL10407017 1.00 CA1 (0.71) CA1CA2CA9ACHELDHA
Bicarbonate SCHEMBL11247758 0.94
Bicarbonate SCHEMBL18127937 0.94 CA1 (0.62) CA1CA2CA9ACHELDHA
Bicarbonate SCHEMBL8521119 0.94
Bicarbonate SCHEMBL28168051 0.94
Bicarbonate SCHEMBL5720560 0.94 CA1 (0.62) CA1CA2CA9ACHELDHA
Bicarbonate SCHEMBL20639275 0.94
Bicarbonate SCHEMBL5708433 0.94 CA1 (0.62) CA1CA2CA9ACHELDHA

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
CN-113387844-B Preparation method of dialkyl azodicarbonate 浙江瑞博制药有限公司 2024-03-12 CN claimed
WO-1991000724-A1 ALKYNYL AMINES THAT REGULATE CHOLINERGIC NEUROTRANSMISSION ABBOTT LABORATORIES (US) 1991-01-24 WO disclosed