Bicarbonate

Bicarbonate

SCHEMBL4270205

C1=CC2CCC1C2.O=C(O)O.O=C(O)O

nearest known ligand 0.38

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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
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
APEX1 P27695 1/20 0.38
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP2D6 P10635 2/20 0.30
BLM P54132 2/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
ABAT P80404 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
Bicarbonate SCHEMBL976297 1.00 POLB (0.38) POLBTDP1APEX1LMNAKDM4E
Acetic Acid SCHEMBL539228 0.88 POLB (0.40) POLBTDP1APEX1LMNAKDM4E
SCHEMBL820392 0.88 KDM4E (0.33) POLBTDP1APEX1LMNAKDM4E
SCHEMBL2478423 0.84 POLB (0.32) POLBTDP1APEX1
SCHEMBL22982714 0.84 KDM4E (0.33) POLBTDP1APEX1LMNAKDM4E
SCHEMBL6065835 0.83
SCHEMBL4967707 0.83
SCHEMBL22129636 0.83
SCHEMBL11183068 0.83
Glycine SCHEMBL20659283 0.82 GLRA1 (0.48) POLBTDP1APEX1LMNA

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-2009050122-A1 COPOLYMERS OF VINYL PHOSPHONIC ACID AS AN ADDITIVE IN CROSS-LINK CURING PAINT FORMULATIONS BASF SE (DE) 2009-04-23 WO disclosed