Bicarbonate

Bicarbonate

SCHEMBL8355662

NOC[C@@]1(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=C(O)O

nearest known ligand 0.58

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
CDK1 P06493 1/20 0.58
CCNB1 P14635 1/20 0.58
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LDHA P00338 1/20 0.39
EPHX2 P34913 1/20 0.37
TYR P14679 1/20 0.36
PTPN1 P18031 1/20 0.36
SLC28A3 Q9HAS3 2/20 0.36
SYNJ2 O15056 2/20 0.36
IGF2R P11717 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
ALPL P05186 1/20 0.36
POLB P06746 1/20 0.36
ALPI P09923 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
Acetic Acid SCHEMBL190256 0.95 CDK1 (0.56) CDK1CCNB1CA2CA9MEN1
SCHEMBL925520 0.95 CDK1 (0.63) CDK1CCNB1CA2CA9MEN1
Sulfuric Acid SCHEMBL6376476 0.91 CDK1 (0.57) CDK1CCNB1CA2CA9MEN1
Nitric Acid SCHEMBL6009046 0.89 CDK1 (0.55) CDK1CCNB1CA2CA9MEN1
SCHEMBL2471895 0.87 CDK1 (0.60) CDK1CCNB1CA2CA9MEN1
SCHEMBL18167470 0.85 CDK1 (0.58) CDK1CCNB1CA2CA9MEN1
SCHEMBL875991 0.84 CDK1 (0.66) CDK1CCNB1CA2CA9MEN1
SCHEMBL8619982 0.84 CDK1 (0.57) CDK1CCNB1CA2CA9MEN1
Sucrose SCHEMBL10389500 0.83 CDK1 (0.73) CDK1CCNB1CA2CA9MEN1
SCHEMBL8206204 0.83 CDK1 (0.56) CDK1CCNB1CA2CA9MEN1

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
WO-1999030688-A1 METHODS OF LYOPHILIZING SOLUTIONS AUFFRET ANTHONY (GB) 1999-06-24 WO disclosed