Bicarbonate

Bicarbonate

SCHEMBL5155014

NCCCC(N)CCCO.NCCCC(N)CCCO.NCCCC(N)CCCO.O=C(O)O.O=C(O)O

nearest known ligand 0.45

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
GSR P00390 1/20 0.45
CPB2 Q96IY4 2/20 0.42
RNPEP Q9H4A4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ENPEP Q07075 4/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
BLM P54132 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
HDAC3 O15379 1/20 0.37
GABBR2 O75899 1/20 0.37
CYP1A2 P05177 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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 SCHEMBL1832370 1.00 GSR (0.45) GSRCPB2RNPEPALDH1A1ENPEP
Bicarbonate SCHEMBL1829915 1.00 GSR (0.45) GSRCPB2RNPEPALDH1A1ENPEP
Oxalic Acid SCHEMBL1830899 0.93 GSR (0.43) GSRCPB2RNPEPALDH1A1ENPEP
Acetic Acid SCHEMBL1833072 0.91 GSR (0.42) GSRCPB2RNPEPALDH1A1ENPEP
Glycolic Acid SCHEMBL1839847 0.91 GSR (0.42) GSRCPB2RNPEPALDH1A1ENPEP
SCHEMBL1832529 0.91 ALDH1A1 (0.37) GSRCPB2RNPEPALDH1A1ENPEP
Succinic Acid SCHEMBL1838797 0.90 LMNA (0.48) GSRALDH1A1ENPEPLMNATHRB
Bromide SCHEMBL1831768 0.88 ALDH1A1 (0.35) GSRCPB2ALDH1A1TSHRNFKB1
Hydrochloric Acid SCHEMBL1831383 0.88 ALDH1A1 (0.35) GSRCPB2ALDH1A1TSHRNFKB1
Iodide SCHEMBL1835199 0.88 ALDH1A1 (0.35) GSRCPB2ALDH1A1TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948589-A1 IONIC LIQUIDS Bioniqs Limited (GB) 2008-07-30 EP disclosed
WO-2007036712-A1 IONIC LIQUIDS BIONIQS LIMITED (GB) 2007-04-05 WO disclosed