Bicarbonate

Bicarbonate

SCHEMBL7652336

C1=NCCN1.O=C(O)O.O=C(O)O

nearest known ligand 0.40

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
GABRA1 P14867 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40
GABRR1 P24046 1/20 0.30
SLC6A1 P30531 1/20 0.30
SLC6A12 P48065 1/20 0.30
SLC6A11 P48066 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
Bicarbonate SCHEMBL9233256 1.00
SCHEMBL3955272 0.90
Acetic Acid SCHEMBL427804 0.90
SCHEMBL9720250 0.86
SCHEMBL71779 0.86
SCHEMBL15282911 0.84 GABRP (0.34) GABRA1GABRA5GABRB2GABRA4GABRP
Hno SCHEMBL7066533 0.83
Hydrochloric Acid SCHEMBL324840 0.83
SCHEMBL4279872 0.83
Charcoal, Activated SCHEMBL2280267 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495084-B1 MANUFACTURING SOLID MACROSCOPIC ARTICLE USING AS MOLDING FACILITATOR LIQUID COMPOSITION COMPRISING CONCENTRATION OF DISSOLVED COMPONENT CONSISTING OF HETEROATOM CONTAINING COMPOUNDS WITH COMBINATION OF LUBRICITY AND WATER RINSEABILITY HENKEL CORPORATION 2002-12-17 US claimed
WO-1999024229-A1 MOLDING FACILITATOR AND USE THEREOF HENKEL CORPORATION (US) 1999-05-20 WO claimed
US-6495084-B1 MANUFACTURING SOLID MACROSCOPIC ARTICLE USING AS MOLDING FACILITATOR LIQUID COMPOSITION COMPRISING CONCENTRATION OF DISSOLVED COMPONENT CONSISTING OF HETEROATOM CONTAINING COMPOUNDS WITH COMBINATION OF LUBRICITY AND WATER RINSEABILITY HENKEL CORPORATION 2002-12-17 US disclosed
US-6005668-A Detecting defects in plastic and similar surfaces HENKEL CORPORATION (US) 1999-12-21 US disclosed
WO-1999024229-A1 MOLDING FACILITATOR AND USE THEREOF HENKEL CORPORATION (US) 1999-05-20 WO disclosed