Bicarbonate

Bicarbonate

SCHEMBL28041891

Nc1nc2ccccc2nc1O.O=C(O)O

nearest known ligand 0.56

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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
ALDH1A1 P00352 7/20 0.56
MAPT P10636 5/20 0.56
HSD17B10 Q99714 5/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.48
IKBKB O14920 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALOX15 P16050 1/20 0.41
DCPS Q96C86 1/20 0.41
GLA P06280 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
NQO2 P16083 1/20 0.40

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
SCHEMBL8001010 0.91 MAPT (0.67) ALDH1A1MAPTHSD17B10HPGDKDM4E
Bicarbonate SCHEMBL11185192 0.84 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10HPGDKDM4E
Phenazine SCHEMBL6213173 0.77 MAPT (0.69) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL1759326 0.75 ALDH1A1 (0.72) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL382385 0.74 MAPT (0.62) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL29444102 0.74 MAPT (1.00) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL29450004 0.74 MAPT (0.62) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL11038905 0.74 MAPT (0.62) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL503252 0.74 MAPT (1.00) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL42617 0.72 ALDH1A1 (0.75) ALDH1A1MAPTHSD17B10HPGDKDM4E

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
CN-105247348-A Digitally enhanced microscopy for multiplexed histology VENTANA MED SYST INC 2016-01-13 CN disclosed