Bicarbonate

Bicarbonate

SCHEMBL4353696

CC=CC(C)C.O=C(O)O

nearest known ligand 0.37

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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
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL23666 0.83
SCHEMBL107822 0.83
SCHEMBL120653 0.83
Bicarbonate SCHEMBL11385890 0.80 ALDH1A1 (0.33) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL27766240 0.79
Water SCHEMBL28326998 0.79
Phosphoric Acid SCHEMBL5963777 0.79 LAP3 (0.32) CA2
SCHEMBL9721022 0.79
Bicarbonate SCHEMBL11401864 0.77 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
Isobutane SCHEMBL3698012 0.76 TP53 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574771-B2 Rechargeable lithium battery SAMSUNG SDI CO., LTD. (KR) 2013-11-05 US disclosed
US-7494746-B2 Electrolyte for rechargeable lithium battery, and rechargeable lithium battery including same SAMSUNG SDI CO., LTD. (KR) 2009-02-24 US disclosed
US-20080118843-A1 Electrolyte for rechargeable lithium battery, and rechargeable lithium battery including same SAMSUNG SDI CO., LTD., A CORPORATION ORGANIZED UNDER THE LAWS OF THE REPUBLIC OF KOREA (KR) 2008-05-22 US disclosed
US-20070154810-A1 Rechargeable lithium battery SAMSUNG SDI CO., LTD. (KR) 2007-07-05 US disclosed