Bicarbonate

Bicarbonate

SCHEMBL376894

O=C(O)O.O=C(O)O.O=C(c1ccccc1)c1ccccc1O

nearest known ligand 0.73

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
LIG1 P18858 1/20 0.73
GAA P10253 2/20 0.62
MEN1 O00255 1/20 0.62
USP2 O75604 1/20 0.62
KMT2A Q03164 1/20 0.62
KEAP1 Q14145 1/20 0.62
NFE2L2 Q16236 1/20 0.62
AKR1C3 P42330 1/20 0.61
HPGD P15428 7/20 0.60
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
HMGB1 P09429 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60

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 SCHEMBL3979276 1.00 LIG1 (0.73) LIG1GAAMEN1USP2KMT2A
SCHEMBL29390505 0.98 LIG1 (0.76) LIG1GAAMEN1USP2KMT2A
SCHEMBL22129808 0.98 LIG1 (0.76) LIG1GAAMEN1USP2KMT2A
SCHEMBL36215 0.98 LIG1 (0.76) LIG1GAAMEN1USP2KMT2A
Benzene SCHEMBL6034371 0.98 LIG1 (0.76) LIG1GAAMEN1USP2KMT2A
Benzophenone SCHEMBL178099 0.95 LIG1 (0.73) LIG1GAAMEN1USP2KMT2A
SCHEMBL9717050 0.95 LIG1 (0.73) LIG1GAAMEN1USP2KMT2A
SCHEMBL30661140 0.95 LIG1 (0.73) LIG1GAAMEN1USP2KMT2A
SCHEMBL29254155 0.95 LIG1 (0.73) LIG1GAAMEN1USP2KMT2A
SCHEMBL11308720 0.95 LIG1 (0.73) LIG1GAAMEN1USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2798013-B1 ANTI-REFLECTIVE COATING LEIBNIZ INST FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2016-08-17 EP disclosed
EP-2168971-B1 Fluid absorption by metal-organic frameworks BASF SE (DE) 2016-08-03 EP disclosed
EP-2230288-B1 METAL-ORGANIC FRAMEWORKS IN REFRIGERATION/HEATING MACHINES BASF SE (DE) 2016-05-25 EP disclosed
EP-2408536-B1 PROCESS FOR SEPARATING ACID GASES USING AMINE IMPREGNATED METAL ORGANIC FRAMEWORKS BASF SE (DE) 2014-07-30 EP disclosed
EP-2117676-B1 METHOD FOR SEPARATING GASES USING A POROUS METAL ORGANIC FRAMEWORK MATERIAL BASF SE (DE) 2014-06-25 EP disclosed
EP-2408684-B1 BIOLOGICALLY DEGRADABLE MATERIAL BASED ON A POLYMERIC MATERIAL CONTAINING POROUS ORGANOMETALLIC NETWORKS BASF SE (DE) 2013-08-21 EP disclosed
EP-2013144-B1 METAL OXIDES PRODUCED FROM METAL-ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2012-10-03 EP disclosed
EP-2408684-A2 BIODEGRADABLE MATERIAL CONSISTING OF A POLYMER CONTAINING A POROUS ORGANOMETALLIC FRAMEWORK BASF SE (DE) 2012-01-25 EP disclosed
EP-2408536-A1 METHOD FOR SEPARATING ACID GASES USING METAL-ORGANIC FRAMEWORKS IMPREGNATED WITH AMINES BASF SE (DE) 2012-01-25 EP disclosed
EP-2242557-B1 POROUS METAL-ORGANIC FRAMEWORK MATERIALS AS DRYING AGENTS BASF SE (DE) 2011-11-23 EP disclosed
WO-2007101797-A1 CLOSED REVERSIBLE BREATHING APPARATUS HAVING A METAL ORGANIC FRAMEWORK BASF SE (DE) 2007-09-13 WO disclosed
WO-2007090864-A1 PROCESS FOR PREPARING POROUS ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2007-08-16 WO disclosed
WO-2007057391-A1 ORGANOMETALLIC FRAMEWORK MATERIALS OF TRANSITION GROUP III BASF SE (DE) 2007-05-24 WO disclosed
WO-2007054581-A2 POROUS ORGANO-METALLIC SKELETON MATERIAL CONTAINING AN ADDITIONAL POLYMER BASF SE (DE) 2007-05-18 WO disclosed
EP-1785428-A1 Doped metal organic framework materials BASF AKTIENGESELLSCHAFT (DE) 2007-05-16 EP disclosed
WO-2007023134-A1 METHOD FOR PRODUCING ORGANOMETALLIC FRAMEWORK MATERIALS CONTAINING MAIN GROUP METAL IONS BASF AKTIENGESELLSCHAFT (DE) 2007-03-01 WO disclosed
WO-2006125739-A1 SUSPENSION FOR REDUCING ODOURS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006122920-A1 GAS ODOROUS SUBSTANCE SEPARATION BASF AKTIENGESELLSCHAFT (DE) 2006-11-23 WO disclosed
EP-1702925-A1 absorption of liquids by metal organic framework materials BASF AKTIENGESELLSCHAFT (DE) 2006-09-20 EP disclosed
EP-1674555-A1 Concentration of methane in methane containing gas mixtures by adsorption BASF AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed