Bicarbonate

Bicarbonate

SCHEMBL5874857

CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.O=C(O)O

nearest known ligand 0.54

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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 2/20 0.54
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
KDM5A P29375 4/20 0.53
PHF8 Q9UPP1 2/20 0.50
KDM4C Q9H3R0 2/20 0.50
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
AKR1B1 P15121 1/20 0.43
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
GPR84 Q9NQS5 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42

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 SCHEMBL5874864 1.00 CA12 (0.54) CA12CA1CA9KDM5APHF8
Acetic Acid SCHEMBL692128 0.92 CA12 (0.52) CA12CA1CA9KDM5APHF8
Oxalic Acid SCHEMBL5874878 0.92 CA12 (0.52) CA12CA1CA9KDM5APHF8
Acetic Acid SCHEMBL27778890 0.92 CA12 (0.52) CA12CA1CA9KDM5APHF8
Oxalic Acid SCHEMBL5844731 0.92 CA12 (0.52) CA12CA1CA9KDM5APHF8
Hydrogen Peroxide SCHEMBL137833 0.91 KDM5A (0.48) CA12CA1CA9KDM5APHF8
Hydrogen Peroxide SCHEMBL137835 0.91 KDM5A (0.48) CA12CA1CA9KDM5APHF8
Bicarbonate SCHEMBL1131246 0.90 KDM5A (0.47) CA12CA1CA9KDM5APHF8
Bicarbonate SCHEMBL1132307 0.90 KDM5A (0.47) CA12CA1CA9KDM5APHF8
Bicarbonate SCHEMBL28356729 0.89 KDM5A (0.56) KDM5APHF8KDM4CAKR1B1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501779-A Method for selectively removing benzyl, allyl and propargyl protecting groups initiated by visible light or near visible light 云南大学 2021-10-15 CN claimed
CN-116134068-A Polymerization process 牛津大学科技创新有限公司 2023-05-16 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