Bicarbonate

Bicarbonate

SCHEMBL11520679

CCCCCCOC(=O)OCCCCCC.O=C(O)O.O=C(O)O

nearest known ligand 0.61

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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 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.61
EPHX1 P07099 1/20 0.57
HCAR2 Q8TDS4 2/20 0.57
TSHR P16473 3/20 0.55
RAD52 P43351 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ACHE P22303 6/20 0.50
ALDH1A1 P00352 2/20 0.50
FAAH O00519 1/20 0.50
DGKA P23743 1/20 0.50
LMNA P02545 1/20 0.50

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 SCHEMBL11777945 1.00 NAAA (0.61) NAAAEPHX1HCAR2TSHRRAD52
Bicarbonate SCHEMBL11523280 1.00 NAAA (0.61) NAAAEPHX1HCAR2TSHRRAD52
Bicarbonate SCHEMBL27833264 1.00 NAAA (0.61) NAAAEPHX1HCAR2TSHRRAD52
Bicarbonate SCHEMBL11521639 1.00 NAAA (0.61) NAAAEPHX1HCAR2TSHRRAD52
Bicarbonate SCHEMBL27341079 0.98 NAAA (0.58) NAAAEPHX1HCAR2TSHRRAD52
Bicarbonate SCHEMBL2357034 0.98 NAAA (0.58) NAAAEPHX1HCAR2TSHRRAD52
SCHEMBL1835519 0.95 NAAA (0.67) NAAAEPHX1HCAR2TSHRRAD52
SCHEMBL4934658 0.95 NAAA (0.67) NAAAEPHX1HCAR2TSHRRAD52
SCHEMBL1837444 0.95 NAAA (0.67) NAAAEPHX1HCAR2TSHRRAD52
SCHEMBL1839498 0.95 NAAA (0.67) NAAAEPHX1HCAR2TSHRRAD52

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
US-4159943-A Froth flotation of ores using hydrocarbyl bicarbonates PETROVICH VOJISLAV 1979-07-03 US disclosed