Bicarbonate

Bicarbonate

SCHEMBL6674561

CC1C(CC2CCC3OC3C2C)CCC2OC21.O=C(O)O

nearest known ligand 0.35

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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
PPP5C P53041 1/20 0.35
GMNN O75496 2/20 0.34
LMNA P02545 2/20 0.34
PMP22 Q01453 2/20 0.34
TP53 P04637 2/20 0.34
NFKB1 P19838 2/20 0.34
THPO P40225 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TFPI2 P48307 1/20 0.34
TSHR P16473 1/20 0.34
PPM1B O75688 3/20 0.32
PTPN1 P18031 3/20 0.32
PPP1CC P36873 3/20 0.32
MAPK1 P28482 2/20 0.31
CYP2C19 P33261 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL11515604 0.74
SCHEMBL6212412 0.72 PPP5C (0.46) PPP5CGMNNLMNAPMP22TP53
SCHEMBL467511 0.72
SCHEMBL1557414 0.72 TP53 (0.35) TP53PPM1BPTPN1PPP1CC
SCHEMBL15504683 0.71
Bicarbonate SCHEMBL10990897 0.69 TFPI2 (0.52) PPP5CGMNNLMNAPMP22TP53
SCHEMBL17626919 0.69 LMNA (0.30) LMNA
SCHEMBL13172737 0.66
SCHEMBL4391065 0.65
SCHEMBL13246527 0.64 PPM1B (0.37) TSHRPPM1BPTPN1PPP1CCCYP2C19

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
EP-1042422-B1 LAMINATING ADHESIVE HARDENABLE BY RADIATION AND USE OF SAME HENKEL KGAA (DE) 2004-09-29 EP disclosed