Bicarbonate

Bicarbonate

SCHEMBL8976867

N.N.NNC(=O)O.O=C(O)O

nearest known ligand 0.47

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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
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
THPO P40225 1/20 0.47
LMNA P02545 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.38
KDM5C P41229 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
HIF1A Q16665 1/20 0.37
ACHE P22303 1/20 0.36
CTSD P07339 2/20 0.32
LDHA P00338 2/20 0.31
LDHB P07195 1/20 0.31
SRR Q9GZT4 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
Ammonia Solution, Strong SCHEMBL20639246 0.96
Ammonia Solution, Strong SCHEMBL27991054 0.92
SCHEMBL7898 0.91
SCHEMBL7258925 0.91 TSHR (0.54) CYP1A2TSHRNFKB1MAOAMAOB
Hydrazine SCHEMBL14118554 0.87
Hydrochloric Acid SCHEMBL3403342 0.87
SCHEMBL28803623 0.87
SCHEMBL1618596 0.87
SCHEMBL27852089 0.87
Water SCHEMBL9312726 0.87

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
EP-0702670-A1 IODOPROPARGYL CARBAMATES AND THEIR USE AS BIOCIDES IN THE PROTECTION OF PLANTS AND MATERIALS BAYER AG (DE) 1996-03-27 EP disclosed
WO-1994029268-A1 IODOPROPARGYL CARBAMATES AND THEIR USE AS BIOCIDES IN THE PROTECTION OF PLANTS AND MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1994-12-22 WO disclosed