Bicarbonate

Bicarbonate

SCHEMBL4862453

Brc1ccccc1-c1ccccc1Br.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O

nearest known ligand 0.59

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
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GRM2 Q14416 1/20 0.49
KMT2A Q03164 4/20 0.44
FFAR1 O14842 1/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK14 Q16539 1/20 0.42
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
C1R P00736 1/20 0.40
KIF11 P52732 1/20 0.40
PRNP P04156 1/20 0.39

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 SCHEMBL11404242 1.00 MAPK1 (0.59) MAPK1ALDH1A1GRM2KMT2AFFAR1
Bicarbonate SCHEMBL27489215 0.87 ALDH1A1 (0.81) MAPK1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL31295703 0.85 ALDH1A1 (0.67) MAPK1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL358976 0.85 ALDH1A1 (0.67) MAPK1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL5099606 0.84 KMT2A (0.64) MAPK1ALDH1A1KMT2ALMNAHTT
SCHEMBL11816433 0.84 ALDH1A1 (0.48) MAPK1ALDH1A1GRM2KMT2AFFAR1
SCHEMBL7519287 0.82 ALDH1A1 (0.63) MAPK1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL31465796 0.82 ALDH1A1 (0.63) MAPK1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL28368379 0.80 KMT2A (0.47) MAPK1ALDH1A1GRM2KMT2AMEN1
Bromide SCHEMBL6343983 0.79 ALDH1A1 (0.60) MAPK1ALDH1A1RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7471360-B2 Liquid crystal display device KONICA MINOLTA OPTO, INC. (JP) 2008-12-30 US disclosed
US-20070046870-A1 Liquid crystal display device KONICA MINOLTA OPTO, INC. 2007-03-01 US disclosed