Bicarbonate

Bicarbonate

SCHEMBL20565740

Nc1cccc(-c2ccccc2)c1N.O=C(O)O

nearest known ligand 0.58

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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 3/20 0.58
HSD17B10 Q99714 2/20 0.58
BCAT2 O15382 1/20 0.48
HNF4A P41235 1/20 0.46
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IKBKB O14920 1/20 0.41
CYP1A2 P05177 1/20 0.41

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 SCHEMBL626712 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10BCAT2HNF4AMAPT
Acetic Acid SCHEMBL28877658 0.92 ALDH1A1 (0.54) ALDH1A1HSD17B10BCAT2HNF4AMAPT
SCHEMBL29564016 0.91 ALDH1A1 (0.68) ALDH1A1HSD17B10BCAT2MAPTL3MBTL1
SCHEMBL169282 0.91 ALDH1A1 (0.68) ALDH1A1HSD17B10BCAT2MAPTL3MBTL1
Biphenyl SCHEMBL29177662 0.89 ALDH1A1 (0.65) ALDH1A1HSD17B10MAPTL3MBTL1HPGD
Fluoride SCHEMBL29111498 0.89 ALDH1A1 (0.65) ALDH1A1HSD17B10BCAT2MAPTL3MBTL1
Water SCHEMBL6830763 0.89 ALDH1A1 (0.65) ALDH1A1HSD17B10BCAT2MAPTL3MBTL1
SCHEMBL27599082 0.89 ALDH1A1 (0.65) ALDH1A1HSD17B10BCAT2MAPTL3MBTL1
Hydrochloric Acid SCHEMBL9614559 0.89 ALDH1A1 (0.65) ALDH1A1HSD17B10BCAT2MAPTL3MBTL1
SCHEMBL10909218 0.89 ALDH1A1 (0.65) ALDH1A1HSD17B10BCAT2MAPTL3MBTL1

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