Bicarbonate

Bicarbonate

SCHEMBL28290875

C=C.C=CC(=C)C(=O)O.O=C(O)O

nearest known ligand 0.44

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 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
FGFR4 P22455 1/20 0.35
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TP53 P04637 1/20 0.30

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
Ethylene SCHEMBL2488792 0.97
SCHEMBL465616 0.94
Ammonia Solution, Strong SCHEMBL11247031 0.90
Hydrochloric Acid SCHEMBL8012629 0.90
SCHEMBL8981852 0.90
Butadiene SCHEMBL10734664 0.88 LMNA (0.44) LMNAALOX15HSD17B10ALDH1A1TSHR
Acrylic Acid SCHEMBL2942899 0.88 LMNA (0.62) LMNAALOX15HSD17B10ALDH1A1TSHR
Acetic Acid SCHEMBL8893677 0.85 ALDH1A1 (0.47) LMNAALOX15HSD17B10ALDH1A1TSHR
Vinyl Chloride SCHEMBL27606793 0.85 LMNA (0.42) LMNAALOX15HSD17B10ALDH1A1TSHR
SCHEMBL28369427 0.80 ALDH1A1 (0.43) LMNAALOX15HSD17B10ALDH1A1TSHR

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-109790399-A Coalescent and nonionic surfactant blend 伊士曼化工公司 2019-05-21 CN disclosed