Bicarbonate

Bicarbonate

SCHEMBL7635343

O=C(O)O.O=C(O)O.O=C(OC(=O)C1CCC1)C1CCC1

nearest known ligand 0.48

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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
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ATM Q13315 1/20 0.36
ELANE P08246 2/20 0.35
POLB P06746 1/20 0.35
MIF P14174 1/20 0.35
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34

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
SCHEMBL6113076 0.94 SMN1; SMN2 (0.52) SMN1; SMN2HTTKMT2ATDP1CES2
SCHEMBL386768 0.88 CES2 (0.50) SMN1; SMN2HTTKMT2ATDP1CES2
SCHEMBL776566 0.86 CES2 (0.55) SMN1; SMN2HTTKMT2ATDP1CES2
SCHEMBL27553353 0.86 CES2 (0.55) SMN1; SMN2HTTKMT2ATDP1CES2
SCHEMBL248821 0.86 CES2 (0.55) SMN1; SMN2HTTKMT2ATDP1CES2
SCHEMBL6939791 0.86 CES2 (0.55) SMN1; SMN2HTTKMT2ATDP1CES2
SCHEMBL11862575 0.86 CES2 (0.55) SMN1; SMN2HTTKMT2ATDP1CES2
SCHEMBL105221 0.85 KMT2A (0.40) SMN1; SMN2HTTKMT2ATDP1CES2
SCHEMBL7910612 0.80 ACE (0.44) SMN1; SMN2HTTKMT2ATDP1CES2
SCHEMBL1863893 0.80 ACE (0.44) SMN1; SMN2HTTKMT2ATDP1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230294-A1 STORAGE-STABLE PREPREGS ON THE BASIS OF DUROPLASTIC, OLEOCHEMICAL MATRICES Cognis Deutschland GmbH & Co. KG (DE) 2002-08-14 EP disclosed
WO-2001032755-A1 STORAGE-STABLE PREPREGS ON THE BASIS OF DUROPLASTIC, OLEOCHEMICAL MATRICES COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2001-05-10 WO disclosed