Bicarbonate

Bicarbonate

SCHEMBL14972782

CCC1CC1N.O=C(O)O

nearest known ligand 0.54

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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 13)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 3/20 0.54
SLC6A11 P48066 3/20 0.54
SLC6A13 Q9NSD5 3/20 0.54
GABRR1 P24046 5/20 0.42
GABRR2 P28476 1/20 0.36
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
ALOX5 P09917 1/20 0.32
TSHR P16473 1/20 0.32
FFAR3 O14843 1/20 0.32
ABAT P80404 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
SCHEMBL21749874 0.86
SCHEMBL20494566 0.86
SCHEMBL10063860 0.86
SCHEMBL12284195 0.86
SCHEMBL13336655 0.86
SCHEMBL5775209 0.86
Hydrochloric Acid SCHEMBL1669384 0.83
Hydrochloric Acid SCHEMBL20168701 0.83
Hydrochloric Acid SCHEMBL20168285 0.83
SCHEMBL332930 0.83 SLC6A12 (0.38) SLC6A12SLC6A11SLC6A13

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
EP-2066176-B1 IMPROVEMENTS IN AND RELATING TO PLANT PROTECTION PLANT BIOSCIENCE LTD (GB) 2013-05-29 EP claimed