Bicarbonate

Bicarbonate

SCHEMBL12986986

NC(C(=O)O)C(C(=O)O)C(=O)O.O=C(O)O

nearest known ligand 0.50

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 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
SLC1A2 P43004 8/20 0.42
SLC1A1 P43005 8/20 0.42
SLC1A3 P43003 7/20 0.42
USP2 O75604 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL350704 0.97 SLC7A5 (0.53) SLC7A5SLC1A2SLC1A1SLC1A3USP2
SCHEMBL350703 0.97 SLC7A5 (0.53) SLC7A5SLC1A2SLC1A1SLC1A3USP2
SCHEMBL5284864 0.79 SLC7A5 (0.57) SLC7A5SLC1A2SLC1A1SLC1A3USP2
SCHEMBL29524472 0.79 SLC7A5 (0.57) SLC7A5SLC1A2SLC1A1SLC1A3USP2
SCHEMBL1007447 0.78 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3USP2
SCHEMBL600021 0.78 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3USP2
SCHEMBL468084 0.78 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3USP2
SCHEMBL25933046 0.78 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3USP2
SCHEMBL29957453 0.78 SLC7A5 (0.62) SLC7A5SLC1A2SLC1A1SLC1A3USP2
SCHEMBL14601662 0.76 SLC7A5 (0.53) SLC7A5SLC1A2SLC1A1SLC1A3PTGS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9410968-B2 Biomarkers for acute kidney injury UNIVERSITEIT GENT (BE) 2016-08-09 US disclosed
EP-2694974-B1 BIOMARKERS FOR ACUTE KIDNEY INJURY UNIV GENT (BE) 2015-10-21 EP disclosed
EP-2694974-A1 BIOMARKERS FOR ACUTE KIDNEY INJURY Universiteit Gent (BE) 2014-02-12 EP disclosed
US-20140017702-A1 BIOMARKERS FOR ACUTE KIDNEY INJURY UNIVERSITEIT GENT (BE) 2014-01-16 US disclosed
WO-2012136548-A1 BIOMARKERS FOR ACUTE KIDNEY INJURY UNIVERSITEIT GENT (BE) 2012-10-11 WO disclosed