Bicarbonate

Bicarbonate

SCHEMBL5374586

CCOC(C)OCC.O=C(O)O

nearest known ligand 0.71

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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
LMNA P02545 2/20 0.71
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.36
FFAR3 O14843 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35

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 SCHEMBL28942687 1.00 LMNA (0.71) LMNATHRBALDH1A1FFAR3HSD17B10
Bicarbonate SCHEMBL28895866 1.00 LMNA (0.71) LMNATHRBALDH1A1FFAR3HSD17B10
Bicarbonate SCHEMBL9453328 0.97 LMNA (0.67) LMNATHRBALDH1A1FFAR3HSD17B10
Acetic Acid SCHEMBL23907968 0.92 LMNA (0.67) LMNATHRBALDH1A1FFAR3HSD17B10
Acetic Acid SCHEMBL222953 0.92 LMNA (0.67) LMNATHRBALDH1A1FFAR3HSD17B10
Propionic Acid SCHEMBL8820914 0.89 LMNA (0.63) LMNATHRBALDH1A1FFAR3HSD17B10
Acetic Acid SCHEMBL8529879 0.89 LMNA (0.63) LMNATHRBALDH1A1FFAR3HSD17B10
Carbamic Acid SCHEMBL5387548 0.89 LMNA (0.63) LMNATHRBALDH1A1GABRPGABRD
Acetone SCHEMBL590699 0.88 LMNA (0.71) LMNATHRBALDH1A1HSD17B10ALOX15
Pyruvate SCHEMBL1893245 0.87 LMNA (0.60) LMNATHRBALDH1A1FFAR3HSD17B10

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
JP-2007169414-A POLYACETAL CARBONATE BLOCK COPOLYMER AND ITS MANUFACTURING METHOD POLYPLASTICS CO 2007-07-05 JP disclosed
CN-1300812-A Cleaning composition PROCTER & GAMBLE (US) 2001-06-27 CN disclosed
US-5575944-A Acetal-containing working fluid composition for refrigerating machine KAO CORPORATION (JP) 1996-11-19 US disclosed
US-4946759-A CLEAVAGE PRODUCT UNDER THE ACTION OF ACTINIC RADIATION HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-07 US disclosed