Bicarbonate

Bicarbonate

SCHEMBL9752520

C=C(C)COOC(C)(C)C.O=C(O)O

nearest known ligand 0.31

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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 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GPR174 Q9BXC1 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
SCHEMBL9355072 0.91 TDP1 (0.35) TSHRHSD17B10TDP1
SCHEMBL8765345 0.78 TET2 (0.42) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL9251625 0.77
SCHEMBL543679 0.77 TSHR (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL27814091 0.77 TSHR (0.35) TSHRTDP1
SCHEMBL28593358 0.77 TDP1 (0.35) ALDH1A1TSHRHSD17B10TDP1
Bicarbonate SCHEMBL29012820 0.74 TSHR (0.32) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL7691524 0.74
SCHEMBL9066247 0.73 TSHR (0.32) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL8048756 0.71 ALDH1A1 (0.38) ALDH1A1

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
WO-1991000301-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXYALKENYL CARBONATES AKZO N.V. (NL) 1991-01-10 WO disclosed