Bicarbonate

Bicarbonate

SCHEMBL20565739

Nc1ccccc1-c1ccccc1N.O=C(O)O

nearest known ligand 0.72

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
ALDH1A1 P00352 3/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
HSD17B10 Q99714 2/20 0.59
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
CYP3A4 P08684 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX15 P16050 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
BTK Q06187 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 2/20 0.43
IDO1 P14902 2/20 0.43
MAPK1 P28482 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43

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 SCHEMBL10585159 0.87 ALDH1A1 (0.81) ALDH1A1L3MBTL1HSD17B10MAPTGAA
Bicarbonate SCHEMBL6029545 0.85 ALOX15 (0.67) ALDH1A1L3MBTL1HSD17B10MAPTGAA
SCHEMBL169281 0.85 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10MAPTGAA
SCHEMBL31607672 0.85 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10MAPTGAA
SCHEMBL1535069 0.84 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10MAPTGAA
SCHEMBL30305189 0.84 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10MAPTGAA
Bicarbonate SCHEMBL9347979 0.82 ALOX15 (0.62) ALDH1A1L3MBTL1HSD17B10MAPTGAA
Methyl Alcohol SCHEMBL28248582 0.82 ALDH1A1 (0.81) ALDH1A1L3MBTL1HSD17B10MAPTGAA
SCHEMBL4939029 0.82 ALDH1A1 (0.93) ALDH1A1L3MBTL1HSD17B10MAPTGAA
Ammonia Solution, Strong SCHEMBL21297045 0.82 ALDH1A1 (0.93) ALDH1A1L3MBTL1HSD17B10MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405453-B1 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC CO LTD (TH) 2024-05-29 EP disclosed
CN-108884032-B Method for preparing poly (carbonate-etherimide) compounds PTT全球化学股份有限公司 2021-10-15 CN disclosed
US-10759904-B2 Method for preparing poly(carbonate-etherimide) compound PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2020-09-01 US disclosed
US-20190202980-A1 METHOD FOR PREPARING POLY(CARBONATE-ETHERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2019-07-04 US disclosed
EP-3405453-A2 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT Global Chemical Public Company Limited (TH) 2018-11-28 EP disclosed