Bicarbonate

Bicarbonate

SCHEMBL4624568

C=CN.C=CN.O=C(O)O

nearest known ligand 0.50

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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
LMNA P02545 2/20 0.50
TSHR P16473 5/20 0.47
ALDH1A1 P00352 4/20 0.47
FGFR4 P22455 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ACHE P22303 1/20 0.39
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33

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 SCHEMBL4624573 1.00
Carbamic Acid SCHEMBL1422615 0.87
Acetic Acid SCHEMBL10773161 0.84 FFAR3 (0.54) LMNATSHRALDH1A1FGFR4CA1
Acrylic Acid SCHEMBL973151 0.84
Acetic Acid SCHEMBL5918793 0.84 FFAR3 (0.54) LMNATSHRALDH1A1FGFR4CA1
Acetic Acid SCHEMBL1054733 0.84
Acetic Acid SCHEMBL292254 0.84 FFAR3 (0.54) LMNATSHRALDH1A1FGFR4CA1
Acetic Acid SCHEMBL2259927 0.84 FFAR3 (0.54) LMNATSHRALDH1A1FGFR4CA1
Urea SCHEMBL329207 0.82
Acrylic Acid SCHEMBL9125301 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846481-B1 POLYAMINE-COATED SUPERABSORBENT POLYMERS BASF SE (DE) 2008-10-08 EP claimed
US-20080114129-A1 Base polymer with a surface coating of a polyammonium carbonate; an inorganic salt BASF AKTIENGESELLSCHAFT (DE) 2008-05-15 US claimed
EP-1846481-A1 POLYAMINE-COATED SUPERABSORBENT POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2007-10-24 EP claimed
EP-1690555-A2 Absorbent articles comprising polyamine-coated superabsorbent polymers Kimberly Clark Worldwide, Inc. (US) 2006-08-16 EP claimed
WO-2006082189-A1 POLYAMINE-COATED SUPERABSORBENT POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2006-08-10 WO claimed
US-20060173431-A1 Absorbent articles comprising polyamine-coated superabsorbent polymers KIMBERLY-CLARK WORLDWIDE, INC. 2006-08-03 US claimed
EP-1846481-B1 POLYAMINE-COATED SUPERABSORBENT POLYMERS BASF SE (DE) 2008-10-08 EP disclosed
US-20080114129-A1 Base polymer with a surface coating of a polyammonium carbonate; an inorganic salt BASF AKTIENGESELLSCHAFT (DE) 2008-05-15 US disclosed
EP-1846481-A1 POLYAMINE-COATED SUPERABSORBENT POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2007-10-24 EP disclosed
EP-1690555-A2 Absorbent articles comprising polyamine-coated superabsorbent polymers Kimberly Clark Worldwide, Inc. (US) 2006-08-16 EP disclosed
WO-2006082189-A1 POLYAMINE-COATED SUPERABSORBENT POLYMERS BASF AKTIENGESELLSCHAFT (DE) 2006-08-10 WO disclosed
US-20060173431-A1 Absorbent articles comprising polyamine-coated superabsorbent polymers KIMBERLY-CLARK WORLDWIDE, INC. 2006-08-03 US disclosed