Bicarbonate

Bicarbonate

SCHEMBL5875239

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

nearest known ligand 0.50

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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
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
CA2 P00918 1/20 0.50
CA1 P00915 3/20 0.40
TSHR P16473 3/20 0.40
FFAR3 O14843 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
EYA2 O00167 1/20 0.38
APP P05067 1/20 0.38
ACE P12821 1/20 0.38
KDM5A P29375 3/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
DRD3 P35462 4/20 0.37
DRD2 P14416 3/20 0.37

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 SCHEMBL5875232 1.00 CA12 (0.50) CA12CA9CA2CA1TSHR
Oxalic Acid SCHEMBL5874925 0.90 CA12 (0.48) CA12CA9CA2CA1TSHR
Acetic Acid SCHEMBL5571031 0.90 CA12 (0.48) CA12CA9CA2CA1TSHR
Oxalic Acid SCHEMBL5874919 0.90 CA12 (0.48) CA12CA9CA2CA1TSHR
Hydrogen Peroxide SCHEMBL139782 0.89 CA12 (0.43) CA12CA9CA2CA1TSHR
Hydrogen Peroxide SCHEMBL139780 0.89 CA12 (0.43) CA12CA9CA2CA1TSHR
Propionic Acid SCHEMBL3410973 0.88 FFAR3 (0.59) CA12CA9CA2CA1TSHR
Bicarbonate SCHEMBL29110485 0.87 CA12 (0.41) CA12CA9CA2CA1TSHR
Succinic Acid SCHEMBL5874689 0.85 FFAR3 (0.55) TSHRFFAR3HDAC3HDAC1HDAC2
Glycolic Acid SCHEMBL21145147 0.85 CA12 (0.44) CA12CA9CA2CA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117303615-A Treatment process of high-mineralization oily sewage 中国石油天然气股份有限公司 2023-12-29 CN disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed