Bicarbonate

Bicarbonate

SCHEMBL4650917

CCC(CO)CO.O=C(O)O

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
ALDH1A1 P00352 1/20 0.48
TRPA1 O75762 1/20 0.40
FFAR3 O14843 2/20 0.37
OR51E2 Q9H255 1/20 0.36
LMNA P02545 3/20 0.36
CA2 P00918 3/20 0.33
ADRA1A P35348 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.32

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 SCHEMBL5373299 0.91 ALDH1A1 (0.46) ALDH1A1TRPA1FFAR3OR51E2LMNA
Acetic Acid SCHEMBL6419060 0.91 ALDH1A1 (0.46) ALDH1A1TRPA1FFAR3OR51E2LMNA
SCHEMBL50253 0.87
Urea SCHEMBL8051050 0.85 ALDH1A1 (0.46) ALDH1A1TRPA1OR51E2LMNACA2
Benzene SCHEMBL11077172 0.84 TRPA1 (0.52) ALDH1A1TRPA1LMNAADRA1ATDP1
Bicarbonate SCHEMBL8018733 0.84 ALDH1A1 (0.58) ALDH1A1TRPA1LMNACA2ADRA1A
Bicarbonate SCHEMBL13372638 0.83 FFAR3 (0.44) ALDH1A1FFAR3CA2ADRA1ATDP1
Ammonia Solution, Strong SCHEMBL11672040 0.83
Methacrylic Acid SCHEMBL4158756 0.82 TGFBR1 (0.41) ALDH1A1TRPA1LMNATDP1
Acrylic Acid SCHEMBL9347976 0.82 LMNA (0.48) ALDH1A1TRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1965897-A1 APPARATUS AND PROCESS FOR FORMING AN ADHESIVE AND/OR SEALANT COMPOSITION, ADHESIVE AND/OR SEALANT COMPOSITION PRODUCED IN THIS WAY AND ADHESIVE-BONDED SUBSTRATES Sika Technology AG (CH) 2008-09-10 EP disclosed
WO-2007074139-A1 APPARATUS AND PROCESS FOR FORMING AN ADHESIVE AND/OR SEALANT COMPOSITION, ADHESIVE AND/OR SEALANT COMPOSITION PRODUCED IN THIS WAY AND ADHESIVE-BONDED SUBSTRATES SIKA TECHNOLOGY AG (CH) 2007-07-05 WO disclosed
EP-1800738-A1 Device and method for producing an adhesive and/or sealant composition, adhesive and/or sealant composition thus produced, and bonded substrates Sika Technology AG (CH) 2007-06-27 EP disclosed
EP-1728840-A1 Method for application and adhesion Sika Technology AG (CH) 2006-12-06 EP disclosed
EP-1728807-A1 Two-component hot melt adhesive containing water Sika Technology AG (CH) 2006-12-06 EP disclosed