Bicarbonate

Bicarbonate

SCHEMBL4555153

C=CCC(C)=CC.O=C(O)O

nearest known ligand 0.36

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 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
ABCC4 O15439 1/20 0.30
MAPT P10636 1/20 0.30
FFAR3 O14843 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL206562 0.89
SCHEMBL29838521 0.89
SCHEMBL206561 0.89
SCHEMBL8989292 0.81
SCHEMBL8989288 0.81
Bicarbonate SCHEMBL10708950 0.78 ALDH1A1 (0.40) ALDH1A1LMNATSHRABCC4MAPT
SCHEMBL8980049 0.77
SCHEMBL13569511 0.77
SCHEMBL8980050 0.77
SCHEMBL3258860 0.77 ALDH1A1 (0.39) ALDH1A1LMNAABCC4MAPTFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111954952-A Nonaqueous electrolyte secondary battery 日产自动车株式会社 2020-11-17 CN disclosed
EP-2120855-A2 USE OF CHROMAN-4-ON-DERIVATIVES Merck Patent GmbH (DE) 2009-11-25 EP disclosed
WO-2008113450-A2 USE OF CHROMAN-4-ON-DERIVATIVES MERCK PATENT GMBH (DE) 2008-09-25 WO disclosed