Bicarbonate

Bicarbonate

SCHEMBL9547387

C=C.C=COC(C)=O.O=C([O-])[O-].[Ca+2]

nearest known ligand 0.35

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 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CA1 P00915 2/20 0.33
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
CA4 P22748 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 SCHEMBL5527 0.89
Ethylene SCHEMBL10561806 0.89 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1TSHR
Ethylene SCHEMBL10382764 0.89 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1TSHR
Ethylene SCHEMBL994924 0.89 ALDH1A1 (0.42) ALDH1A1HSD17B10TDP1TSHR
Acetic Acid SCHEMBL7580002 0.87 CA1 (0.42) ALDH1A1CA1HSD17B10TDP1TSHR
Acetic Acid SCHEMBL27565397 0.87 CA1 (0.42) ALDH1A1CA1HSD17B10TDP1TSHR
Ethylene SCHEMBL7644453 0.87
Ethylene SCHEMBL6072796 0.87
Ethylene SCHEMBL29631732 0.87
Ethylene SCHEMBL9815378 0.87

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
JP-5178649-A None JP disclosed
JP-H05178649-A COMPOSITION OF BOTTOM SPRAYING MATERIAL AND TECHNIQUE FOR FORMING EXTERNAL WALL ON SURFACE OF BODY FUJIKAWA KENZAI KOGYO KK 1993-07-20 JP disclosed