Bicarbonate

Bicarbonate

SCHEMBL11039726

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

nearest known ligand 0.46

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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 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TET2 Q6N021 5/20 0.37
TET3 O43151 1/20 0.37
TET1 Q8NFU7 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36
LMNA P02545 1/20 0.33
ALDH1A1 P00352 3/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 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
SCHEMBL83312 0.97
SCHEMBL6018777 0.97 ALOX15 (0.48) ALOX15HSD17B10TET2TET3TET1
Ammonia Solution, Strong SCHEMBL1326303 0.94
Water SCHEMBL4964612 0.94
SCHEMBL28853784 0.94
Ethylene SCHEMBL27214133 0.94 ALOX15 (0.46) ALOX15HSD17B10TET2TET3TET1
Hydrochloric Acid SCHEMBL7552979 0.94
Acrylic Acid SCHEMBL18864325 0.90 ALOX15 (0.60) ALOX15HSD17B10TET2TET3TET1
Acrylic Acid SCHEMBL5610985 0.87 ALOX15 (0.58) ALOX15HSD17B10TET2TET3TET1
Methacrylic Acid SCHEMBL4557384 0.87 ALOX15 (0.41) ALOX15HSD17B10TET2TET3TET1

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-0056526-B1 CARBONATE(ALKYL)ACRYLATE RADIATION-CURABLE COATING COMPOSITIONS, AND METHOD OF CURING MOBIL OIL CORPORATION (US) 1985-03-20 EP disclosed
EP-0056526-A1 Carbonate(alkyl)acrylate radiation-curable coating compositions, and method of curing MOBIL OIL CORPORATION (US) 1982-07-28 EP disclosed