Bicarbonate

Bicarbonate

SCHEMBL637504

O=C(O)O.O=C(O)O.O=C(O)OC(=O)O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.44

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
HSD17B10 Q99714 7/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.44
CYP1A2 P05177 5/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
KDM4E B2RXH2 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 1/20 0.40
GLA P06280 2/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
LDHA P00338 1/20 0.38
TSHR P16473 2/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3836300 0.98 HSD17B10 (0.46) HSD17B10ALDH1A1HPGDCYP1A2THRB
Bicarbonate SCHEMBL3836308 0.89 CYP1A2 (0.55) HSD17B10ALDH1A1HPGDCYP1A2THRB
Bicarbonate SCHEMBL636595 0.89 CYP1A2 (0.55) HSD17B10ALDH1A1HPGDCYP1A2THRB
Bicarbonate SCHEMBL2585744 0.89 CYP1A2 (0.55) HSD17B10ALDH1A1HPGDCYP1A2THRB
Bicarbonate SCHEMBL5013691 0.88 ALDH1A1 (0.39) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL2592020 0.88 ALDH1A1 (0.41) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL2581158 0.86 ALDH1A1 (0.40) HSD17B10ALDH1A1HPGDCYP1A2THRB
Bicarbonate SCHEMBL11123125 0.85 KMT2A (0.46) HSD17B10ALDH1A1HPGDCYP1A2THRB
Bicarbonate SCHEMBL11031888 0.85 ALDH1A1 (0.41) HSD17B10ALDH1A1HPGDCYP1A2THRB
SCHEMBL6255235 0.84 SLC9A1 (0.37) HSD17B10ALDH1A1HPGDCYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452863-A2 Process for treating wastes from waste waters obtained from the production of dyes HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 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-0113437-B1 ELECTROPHOTOGRAPHIC RECORDING MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 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-0113437-A1 Electrophotographic recording material HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-18 EP claimed
EP-3515990-B1 METHOD FOR MANUFACTURING LIGNOCELLULOSE WORKPIECES BASF SE (DE) 2020-07-08 EP disclosed
EP-3376228-B1 METHODFOR DETECTING BIOGENIC AMINE MESSENGER MATERIALS KARLSRUHER INST TECHNOLOGIE (DE) 2020-02-12 EP disclosed
EP-3274143-B1 METHOD FOR MANUFACTURING WOODEN MATERIALS BASF SE (DE) 2019-08-28 EP disclosed
EP-3515990-A1 METHOD FOR PRODUCING LIGNOCELLULOSE MATERIALS BASF SE (DE) 2019-07-31 EP disclosed
WO-2019115261-A1 METHOD FOR PRODUCING SINGLE- OR MULTI-LAYER LIGNOCELLULOSE MATERIALS UNDER SPECIFIC CONDITIONS IN A HOT PRESS BASF SE (DE) 2019-06-20 WO disclosed
EP-3376228-A2 METHOD FOR DETECTING BIOGENIC AMINE MESSENGER MATERIALS Karlsruher Institut für Technologie (DE) 2018-09-19 EP disclosed
WO-2018054732-A1 METHOD FOR PRODUCING LIGNOCELLULOSE MATERIALS BASF SE (DE) 2018-03-29 WO disclosed
EP-0113437-B1 ELECTROPHOTOGRAPHIC RECORDING MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1988-02-03 EP disclosed
EP-0224784-A2 Carbazole group-containing polysiloxane, photoconductive layers and electrophotographic material BASF Aktiengesellschaft (DE) 1987-06-10 EP disclosed
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 disclosed
EP-0039482-B1 PERYLENE-3,4,9,10-TETRACARBOXYLIC ACID MONOANHYDRIDE-MONOIMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP disclosed
EP-0113437-A1 Electrophotographic recording material HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-18 EP disclosed
EP-0035218-B1 PERYLENE-3,4,9,10-TETRACARBOXYLIC-ACID-MONOANHYDRIDE-MONOALKALI SALTS, PROCESS FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1984-01-11 EP disclosed
EP-0047027-A1 Liquid crystals mixture BBC Aktiengesellschaft Brown, Boveri & Cie. (CH) 1982-03-10 EP disclosed
EP-0039482-A2 Perylene-3,4,9,10-tetracarboxylic acid monoanhydride-monoimides, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-11 EP disclosed