Bicarbonate

Bicarbonate

SCHEMBL2579876

CCOC(=O)C(C)=COOC(C)(C)C.O=C(O)O.O=C(O)O

nearest known ligand 0.39

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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 19)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.39
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP2D6 P10635 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EGLN1 Q9GZT9 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 3/20 0.33
HCAR2 Q8TDS4 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C9 P11712 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
SCHEMBL2769648 0.83
SCHEMBL5595915 0.82 ALDH1A1 (0.36) GLO1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL464895 0.81
SCHEMBL3291190 0.81
SCHEMBL20302153 0.80 ALDH1A1 (0.44) NPSR1ALDH1A1MAPTHCAR2TSHR
SCHEMBL2214385 0.77
SCHEMBL7688610 0.73
SCHEMBL322511 0.73 GLO1 (0.50) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL19447665 0.73 GLO1 (0.50) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL222772 0.73 GLO1 (0.50) GLO1NPSR1ALDH1A1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1710482-B1 LAMINATED TUBE UBE INDUSTRIES (JP) 2013-04-17 EP disclosed
US-8067075-B2 Multilayer tube UBE INDUSTRIES, INC. (JP) 2011-11-29 US disclosed
US-20070148389-A1 Multilayer tube Ube Industries, Ltd. a corporation of Japan, 1978-96 (JP) 2007-06-28 US disclosed
EP-1710482-A1 LAMINATED TUBE Ube Industries, Ltd. (JP) 2006-10-11 EP disclosed