Bicarbonate

Bicarbonate

SCHEMBL27965705

CC(C)(C)c1cc(CCC(=O)O)c(O)c(C(C)(C)C)c1.O=C([O-])[O-].[Ca+2]

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
NR1H4 Q96RI1 2/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NPSR1 Q6W5P4 3/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 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
SCHEMBL30206727 0.94 NR1H4 (0.48) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL265814 0.94 NR1H4 (0.48) NR1H4RXRARXRBRXRGNPSR1
Hydrogen Sulfide SCHEMBL28833668 0.93 NR1H4 (0.47) NR1H4RXRARXRBRXRGNPSR1
Ethane SCHEMBL19639572 0.93 NR1H4 (0.47) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL28295267 0.88 NR1H4 (0.41) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL2022443 0.87 NR1H4 (0.43) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL27755263 0.87 NR1H4 (0.43) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL5607798 0.87 NR1H4 (0.43) NR1H4RXRARXRBRXRGNPSR1
SCHEMBL28803599 0.87 NR1H4 (0.43) NR1H4RXRARXRBRXRGNPSR1
1,6-Hexanediol SCHEMBL2954036 0.86 NR1H4 (0.42) NR1H4RXRARXRBRXRGNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102675819-B Wear resistant self-lubricating polyformaldehyde and preparation method thereof YANKUANG LUNAN CHEMICAL FERTILISER PLANT 2014-05-07 CN disclosed