Bicarbonate

Bicarbonate

SCHEMBL5277147

COc1ccccc1COC(=O)OCc1ccccc1OC.O=C(O)O

nearest known ligand 0.55

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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
IDO1 P14902 2/20 0.55
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ABCB1 P08183 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 3/20 0.48
POLB P06746 2/20 0.48
RECQL P46063 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL286684 0.96 IDO1 (0.58) IDO1MTNR1AMTNR1BKMT2AMEN1
Hydroquinone SCHEMBL15387408 0.91 IDO1 (0.53) IDO1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL18398576 0.87 IDO1 (0.56) IDO1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL10827236 0.87 IDO1 (0.56) IDO1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL31072414 0.87 IDO1 (0.56) IDO1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL16776780 0.84 IDO1 (0.46) IDO1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL1030014 0.84 IDO1 (0.56) IDO1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL10834706 0.83 IDO1 (0.49) IDO1MTNR1AMTNR1BKMT2AMEN1
SCHEMBL6667180 0.83 PPARG (0.58) IDO1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2296213 0.82 MEN1 (0.58) IDO1MTNR1AMTNR1BKMT2AMEN1

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
EP-1504048-B1 METHOD OF PREPARING POLYESTERCARBONATES GEN ELECTRIC (US) 2007-11-21 EP disclosed
EP-1504048-A1 METHOD OF PREPARING POLYESTERCARBONATES GENERAL ELECTRIC COMPANY (US) 2005-02-09 EP disclosed
WO-2003087190-A1 METHOD OF PREPARING POLYESTERCARBONATES GENERAL ELECTRIC COMPANY (US) 2003-10-23 WO disclosed
US-6600004-B1 Preparing polyestercarbonates is presented in which a mixture of at least one activated diaryl carbonate is reacted under melt polymerization conditions with at least one aromatic dihydroxy compound together with at least one dicarboxylic GENERAL ELECTRIC COMPANY 2003-07-29 US disclosed