Bicarbonate

Bicarbonate

SCHEMBL9017536

C=C(CCN)C(=O)N(C)C.O=C(O)O

nearest known ligand 0.32

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
EGFR P00533 2/20 0.32
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRR2 P28476 1/20 0.31
SLC6A1 P30531 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL407637 0.96 EGFR (0.31) EGFR
Chloromethane SCHEMBL6934355 0.91 ALDH1A1 (0.31) TSHR
SCHEMBL93437 0.83 CYP1A2 (0.41) GABRR3GABRPGABRDHDAC3GABBR2
SCHEMBL747178 0.81 PAOX (0.45) GABRR3GABRPGABRDHDAC3GABBR2
Chloromethane SCHEMBL534115 0.79 CYP1A2 (0.38) GABRR3GABRPGABRDHDAC3GABBR2
SCHEMBL15281928 0.79 PAOX (0.48) GABRR3GABRPGABRDHDAC3GABBR2
Monoethanolamine SCHEMBL8703802 0.78 CYP1A2 (0.37) GABRR3GABRPGABRDHDAC3GABBR2
SCHEMBL6451229 0.77 ACHE (0.33)
SCHEMBL543058 0.77
Sulfuric Acid SCHEMBL9324963 0.76 CYP1A2 (0.35) GABRR3GABRPGABRDHDAC3GABBR2

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
US-5525692-A SALT FORMING AN ACRYLIC ESTER OR AMIDE WITH CARBONIC ACID, FORMING AN AMINE SALT CARBONATE MONOMER BEFORE HOMO OR CO-POLYMERIZING, THEN DECARBOXYLATION KOHJIN CO., LTD. (JP) 1996-06-11 US disclosed
EP-0656372-A1 SLUDGE DEHYDRATING AGENT KOHJIN CO. Ltd. (JP) 1995-06-07 EP disclosed