Bicarbonate

Bicarbonate

SCHEMBL4735765

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

nearest known ligand 0.61

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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 12)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.31

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 SCHEMBL7623012 0.96
Bicarbonate SCHEMBL5451762 0.96 CA5A (0.67) CA5ACA5BCA1CA2CA9
Bicarbonate SCHEMBL5451766 0.96 CA5A (0.67) CA5ACA5BCA1CA2CA9
Bicarbonate SCHEMBL37341 0.92 CA5A (0.73) CA5ACA5BCA1CA2CA9
Bicarbonate SCHEMBL792399 0.92
Bicarbonate SCHEMBL4713896 0.92 CA5A (0.73) CA5ACA5BCA1CA2CA9
Bicarbonate SCHEMBL27985234 0.88
Bicarbonate SCHEMBL2546787 0.88 CA5A (0.67) CA5ACA5BCA1CA2CA9
Bicarbonate SCHEMBL28875779 0.88
Bicarbonate SCHEMBL10821992 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822388-B2 Multi-component aqueous gel solution for control of delayed gelation timing and for resulting gel properties SPI TECHNOLOGIES LLC (US) 2014-09-02 US disclosed
WO-2008067138-A1 MULTI-COMPONENT AQUEOUS GEL SOLUTION FOR CONTROL OF DELAYED GELATION TIMING AND FOR RESULTING GEL PROPERTIES SPI TECHNOLOGIES, LLC (US) 2008-06-05 WO disclosed
US-20080125334-A1 Water soluble alkali metal silicate solution, a water dispersible polymer; and a water soluble initiator of a reactive carbonyl compounds; seal pipes in production or injection wells, pipelines, and utility conduits REGENCY TECHNOLOGIES LLC 2008-05-29 US disclosed