Bicarbonate

Bicarbonate

SCHEMBL726360

O=C(O)O.O=C(O)O.O=C1OC(=O)O1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

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
TYMS P04818 3/20 0.43
HSD17B10 Q99714 7/20 0.43
ALDH1A1 P00352 7/20 0.43
HPGD P15428 7/20 0.43
CYP1A2 P05177 4/20 0.43
THRB P10828 1/20 0.43
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MCL1 Q07820 2/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
PIM1 P11309 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
KDM4E B2RXH2 6/20 0.39
GLA P06280 4/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2588631 0.91 TYMS (0.50) TYMSHSD17B10ALDH1A1HPGDCYP1A2
Bicarbonate SCHEMBL3836308 0.87 CYP1A2 (0.55) HSD17B10ALDH1A1HPGDCYP1A2THRB
Bicarbonate SCHEMBL636595 0.87 CYP1A2 (0.55) HSD17B10ALDH1A1HPGDCYP1A2THRB
Bicarbonate SCHEMBL2585744 0.87 CYP1A2 (0.55) HSD17B10ALDH1A1HPGDCYP1A2THRB
Bicarbonate SCHEMBL11125272 0.85 ALDH1A1 (0.40) TYMSHSD17B10ALDH1A1HPGDCYP1A2
Bicarbonate SCHEMBL7451205 0.83 TYMS (0.41) TYMSHSD17B10ALDH1A1HPGDCYP1A2
Bicarbonate SCHEMBL1128136 0.82 CYP1A2 (0.35) TYMSHSD17B10ALDH1A1HPGDCYP1A2
Bicarbonate SCHEMBL10975774 0.82 KMT2A (0.35) TYMSHSD17B10ALDH1A1HPGDCYP1A2
Bicarbonate SCHEMBL5017274 0.82 AHR (0.35) TYMSHSD17B10ALDH1A1HPGDCYP1A2
Bicarbonate SCHEMBL11122358 0.81 KDM4E (0.35) TYMSHSD17B10ALDH1A1HPGDCYP1A2

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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149757-B1 PRINTED INTERLAYER FILMS FOR LAMINATED GLAZING WITH IMPROVED NIR TRANSPARENCY KURARAY EUROPE GMBH (DE) 2024-04-17 EP claimed
EP-3816238-B9 POLYPARAPERYLENE DERIVATIVES AND METHODS FOR MAKING SAME TEXTILCHEMIE DR PETRY GMBH (DE) 2023-06-21 EP claimed
EP-3816238-B1 POLYPARAPERYLENE DERIVATIVES AND METHODS FOR MAKING SAME TEXTILCHEMIE DR PETRY GMBH (DE) 2023-04-12 EP claimed
EP-2181466-B1 GROWTH OF ORDERED CRYSTALLINE ORGANIC FILMS UNIV MICHIGAN REGENTS (US) 2021-03-10 EP claimed
EP-3230295-B1 AMINO PHOSPHAZENE BASES AS N-DOPANTS IN ORGANIC ELECTRONICS SIEMENS AG (DE) 2019-07-31 EP claimed
EP-3233873-B1 PROAZAPHOSPHATRANES AS N-DOPANTS IN ORGANIC ELECTRONICS SIEMENS AG (DE) 2019-06-26 EP claimed
EP-2586585-B1 THERMOPLASTIC COMPOSITE MATERIAL REINFORCED WITH SYNTHETIC FIBRES AND MANUFACTURING METHOD ARKEMA FRANCE (FR) 2018-01-24 EP claimed
EP-3233873-A1 PROAZAPHOSPHATRANES AS N-DOPANTS IN ORGANIC ELECTRONICS Siemens Aktiengesellschaft (DE) 2017-10-25 EP claimed
EP-3230295-A1 AMINO PHOSPHAZENE BASES AS N-DOPANTS IN ORGANIC ELECTRONICS Siemens Aktiengesellschaft (DE) 2017-10-18 EP claimed
WO-2016116205-A1 PROAZAPHOSPHATRANES AS N-DOPANTS IN ORGANIC ELECTRONICS SIEMENS AKTIENGESELLSCHAFT (DE) 2016-07-28 WO claimed
EP-0176900-B1 PROCESS FOR THE MANUFACTURE OF MIXED CRYSTALS OF PIGMENTS ON THE BASIS OF DIIMIDES OF PERYLENE TETRACARBOXYLIC ACID, AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-24 EP claimed
EP-0176902-B1 MIXED CRYSTALS OF PIGMENTS ON THE BASIS OF DIIMIDES OF PERYLENE TETRACARBOXYLIC ACID, THEIR MANUFACTURING PROCESS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-10 EP claimed
EP-0176899-B1 MIXED CRYSTALS OF PIGMENTS ON THE BASIS OF DIIMIDES OF PERYLENE TETRACARBOXYLIC ACID, THEIR MANUFACTURING PROCESS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-03 EP claimed
EP-0122879-B1 PROCESS FOR THE PREPARATION OF PERYLENE CIBA-GEIGY AG (CH) 1986-08-27 EP claimed
EP-0176900-A2 Process for the manufacture of mixed crystals of pigments on the basis of diimides of perylene tetracarboxylic acid, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-09 EP claimed
EP-0176902-A2 Mixed crystals of pigments on the basis of diimides of perylene tetracarboxylic acid, their manufacturing process and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-09 EP claimed
EP-0176899-A2 Mixed crystals of pigments on the basis of diimides of perylene tetracarboxylic acid, their manufacturing process and their use HOECHST AKTIENGESELLSCHAFT (DE) 1986-04-09 EP claimed
EP-0122879-A1 Process for the preparation of perylene CIBA-GEIGY AG (CH) 1984-10-24 EP claimed
EP-0023191-B1 MODIFICATION OF PERYLENE-TETRACARBOXYLIC ACID BIS (3,5-DIMETHYLPHENYL) IMIDE, ITS PREPARATION AND USE IN PIGMENTATION CIBA-GEIGY AG (CH) 1983-02-09 EP claimed
EP-0023191-A1 Modification of perylene-tetracarboxylic acid bis (3,5-dimethylphenyl) imide, its preparation and use in pigmentation CIBA-GEIGY AG (CH) 1981-01-28 EP claimed