Bicarbonate

Bicarbonate

SCHEMBL3789802

CCCCCCCCCC=CCCCCCCCCC.O=C(O)O.O=C(O)O

nearest known ligand 0.75

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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
TERT O14746 3/20 0.75
PTPN1 P18031 3/20 0.75
PPARG P37231 3/20 0.75
PPARD Q03181 3/20 0.75
PPARA Q07869 3/20 0.75
TOP1 P11387 3/20 0.75
MAPT P10636 2/20 0.75
BLM P54132 2/20 0.75
HSD17B10 Q99714 2/20 0.75
FABP4 P15090 2/20 0.75
CYP1A2 P05177 2/20 0.75
CYP2C19 P33261 2/20 0.75
FAAH O00519 2/20 0.75
F7 P08709 2/20 0.75
F3 P13726 2/20 0.75
KMT2A Q03164 2/20 0.75
DUSP3 P51452 2/20 0.75
GMNN O75496 1/20 0.75
USP2 O75604 1/20 0.75
LMNA P02545 1/20 0.75

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 SCHEMBL3941976 1.00 TERT (0.75) TERTPTPN1PPARGPPARDPPARA
Bicarbonate SCHEMBL9812228 1.00 TERT (0.75) TERTPTPN1PPARGPPARDPPARA
Bicarbonate SCHEMBL6246658 1.00 TERT (0.75) TERTPTPN1PPARGPPARDPPARA
Bicarbonate SCHEMBL10592426 1.00 TERT (0.75) TERTPTPN1PPARGPPARDPPARA
Bicarbonate SCHEMBL4345310 0.97 PPARG (0.71) TERTPTPN1PPARGPPARDPPARA
Acetic Acid SCHEMBL28401623 0.92 TERT (0.72) TERTPTPN1PPARGPPARDPPARA
Acetic Acid SCHEMBL28907994 0.92 TERT (0.72) TERTPTPN1PPARGPPARDPPARA
Acetic Acid SCHEMBL28365304 0.92 TERT (0.72) TERTPTPN1PPARGPPARDPPARA
Acetic Acid SCHEMBL29159701 0.92 TERT (0.72) TERTPTPN1PPARGPPARDPPARA
Acetic Acid SCHEMBL29431318 0.92 TERT (0.72) TERTPTPN1PPARGPPARDPPARA

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
EP-2210870-A1 Hydroxy and aldehyde functional connections Evonik Degussa GmbH (DE) 2010-07-28 EP disclosed