Bicarbonate

Bicarbonate

SCHEMBL29098908

Brc1ccc(Br)c2nsnc12.Brc1ccc2nsnc2c1Br.O=C([O-])[O-].[K+].[K+]

nearest known ligand 0.38

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 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 4/20 0.35
HPGD P15428 3/20 0.35
CASP1 P29466 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PPARG P37231 1/20 0.35
CASP7 P55210 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35

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
SCHEMBL3500515 0.68 KDM4E (0.42) KDM4EALDH1A1HSD17B10MAPK1MEN1
SCHEMBL34472003 0.67 MAPT (0.60) GAAKDM4EHSD17B10HPGDTXNRD1
SCHEMBL34471357 0.67 GAA (0.70) GAAPKMKDM4EALDH1A1HSD17B10
SCHEMBL34472056 0.66 MAPT (0.60) GAAPKMKDM4EALDH1A1HSD17B10
SCHEMBL432155 0.65 MAPT (0.57) PKMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12136883 0.65 MAPT (0.33) GAAKDM4EALDH1A1HPGDMAPK1
SCHEMBL20428806 0.64 MAPT (0.40) KDM4EALDH1A1HSD17B10NPSR1MAPK1
SCHEMBL30965279 0.63 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL3500609 0.62 CCKBR (0.38) GAAPKMKDM4EALDH1A1MAPK1
SCHEMBL3498758 0.62 ALDH1A1 (0.39) PKMKDM4EALDH1A1HPGDMAPK1

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-114195775-B Fluorescent dye, preparation method thereof and application thereof in bacterial staining 黄埔海关技术中心 2023-11-03 CN disclosed