Bicarbonate

Bicarbonate

SCHEMBL9752391

CCC=C(C)C.O=C(O)O

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.37
FFAR3 O14843 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TRPA1 O75762 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL403101 0.87
SCHEMBL21352 0.87
Glycolic Acid SCHEMBL7723109 0.86 FFAR3 (0.38) KDM4EATMALDH1A1FFAR3TDP1
Ammonia Solution, Strong SCHEMBL9634137 0.83
Hydrochloric Acid SCHEMBL28439915 0.83
Water SCHEMBL28328303 0.83
Carbon Dioxide SCHEMBL27412182 0.81
Formic Acid SCHEMBL29463695 0.81 ALDH1A1 (0.39) KDM4EATMALDH1A1TDP1POLB
Hydrochloric Acid SCHEMBL28459730 0.80
Ethylene SCHEMBL21772405 0.80

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844065-B1 LURE COMPOSITION ATTRATEC GMBH (DE) 2021-01-06 EP claimed
WO-1991000301-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXYALKENYL CARBONATES AKZO N.V. (NL) 1991-01-10 WO claimed
EP-2844065-B1 LURE COMPOSITION ATTRATEC GMBH (DE) 2021-01-06 EP disclosed
EP-2844065-A2 ATTRACTANT COMPOSITION Attratec GmbH (DE) 2015-03-11 EP disclosed
WO-2013164426-A2 ATTRACTANT COMPOSITION ATTRATEC GMBH (DE) 2013-11-07 WO disclosed
WO-1991000301-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXYALKENYL CARBONATES AKZO N.V. (NL) 1991-01-10 WO disclosed