Bicarbonate

Bicarbonate

SCHEMBL1436274

O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Y+3].[Y+3].[Y+3].[Y+3]

nearest known ligand 0.39

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 13)

geneUniProtsupporting neighboursconfidence
CA4 P22748 5/20 0.39
CA1 P00915 2/20 0.39
FAHD1 Q6P587 1/20 0.39
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
LDHA P00338 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 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 SCHEMBL9280793 0.95
Bicarbonate SCHEMBL14562627 0.90 CA4 (0.39) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL7094481 0.89
Bicarbonate SCHEMBL9343093 0.84 CA4 (0.42) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL3876379 0.84 CA4 (0.42) CA4CA1FAHD1FFAR3HDAC3
Bicarbonate SCHEMBL28218343 0.84
Bicarbonate SCHEMBL4323788 0.84
Bicarbonate SCHEMBL30932406 0.84
Bicarbonate SCHEMBL31571632 0.84 CA4 (0.42) CA4CA1FAHD1LMNAMEN1
Bicarbonate SCHEMBL31571631 0.84 CA4 (0.42) CA4CA1FAHD1LMNAMEN1

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-8278243-B2 Laser imaging DATALASE LTD. (GB) 2012-10-02 US disclosed
EP-1704057-B1 LASER IMAGING DATALASE LTD (GB) 2011-03-30 EP disclosed
US-20100075848-A1 Laser Imaging DATALASE LTD. (GB) 2010-03-25 US disclosed