Bicarbonate

Bicarbonate

SCHEMBL600121

O=C(Cl)Oc1ccc([N+](=O)[O-])cc1.O=C(O)O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

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
GAA P10253 1/20 0.57
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 4/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 2/20 0.50
SRD5A2 P31213 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTPN7 P35236 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
CES1 P23141 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CES2 O00748 1/20 0.49
MAPT P10636 2/20 0.48
MGLL Q99685 1/20 0.48
NPC1 O15118 1/20 0.47

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
Benzene SCHEMBL28222061 0.96 GAA (0.57) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL9276769 0.96 GAA (0.57) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL15168 0.96 GAA (0.61) GAABCL9CTNNB1ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL19516242 0.94 GAA (0.59) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL25236596 0.91 GAA (0.56) GAABCL9CTNNB1ALDH1A1KMT2A
P-Nitrophenol SCHEMBL1960699 0.89 GAA (0.54) GAABCL9CTNNB1ALDH1A1KMT2A
Ethylene Glycol SCHEMBL23277093 0.89 BCL9 (0.55) GAABCL9CTNNB1ALDH1A1KMT2A
Pyridine SCHEMBL7907616 0.87 MAPT (0.58) GAABCL9CTNNB1ALDH1A1KMT2A
SCHEMBL9486189 0.85 GAA (0.57) GAABCL9CTNNB1ALDH1A1KMT2A
Bicarbonate SCHEMBL7985678 0.85 GAA (0.61) GAABCL9CTNNB1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114431-B2 Apparatus comprising integrin specific ligand for use in promoting tissue growth; tissue repair; tissue engineering; prosthetics GEORGIA TECH RESEARCH CORPORATION (US) 2012-02-14 US disclosed