Bicarbonate

Bicarbonate

SCHEMBL28332006

CCS(=O)(=O)O.O=C(O)O

nearest known ligand 0.44

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Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

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
FFAR3 O14843 3/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
POLB P06746 1/20 0.37
CA5A P35218 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A6 P31641 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
APEX1 P27695 1/20 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
Hydrogen Peroxide SCHEMBL28665394 0.92
Acetic Acid SCHEMBL3455135 0.89 FFAR3 (0.50) FFAR3HDAC1HDAC2HDAC3HDAC8
SCHEMBL1904 0.88
SCHEMBL2058760 0.88 CA5A (0.46) FFAR3CA1CA2CA9CA5A
SCHEMBL126970 0.88
Carbamic Acid SCHEMBL28125004 0.86 ACHE (0.47) FFAR3CA1CA2CA9HDAC1
Bicarbonate SCHEMBL11228355 0.85 FFAR3 (0.33) FFAR3CA1CA2CES2CES1
Bicarbonate SCHEMBL11228356 0.85 FFAR3 (0.33) FFAR3CA1CA2CES2CES1
Bicarbonate SCHEMBL11228361 0.85 FFAR3 (0.33) FFAR3CA1CA2CES2CES1
Benzene SCHEMBL22443739 0.85 PSIP1 (0.41) FFAR3CA1CA2CA9POLB

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-110437488-A A kind of environmental protection fluorine-free foaming agent and preparation method thereof LIANG JIAN 2019-11-12 CN disclosed