Bicarbonate

Bicarbonate

SCHEMBL5407657

C=CCC(N)(CC=C)CC=C.O=C(O)O

nearest known ligand 0.41

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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 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.33
FGFR4 P22455 1/20 0.32
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 2/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
BLM P54132 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 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 SCHEMBL5407661 1.00 HTT (0.41) HTTTSHRALDH1A1LMNAFGFR4
Oxalic Acid SCHEMBL11437762 0.92 HTT (0.39) HTTTSHRALDH1A1LMNAFGFR4
SCHEMBL361077 0.85 ALDH1A1 (0.38) ALDH1A1
Water SCHEMBL5407251 0.82 ALDH1A1 (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL142823 0.82 ALDH1A1 (0.35) ALDH1A1
Bromide SCHEMBL4276596 0.82 ALDH1A1 (0.35) ALDH1A1
Sulfuric Acid SCHEMBL23277225 0.81 CA5A (0.32) HTT
Sulfuric Acid SCHEMBL23277224 0.81 CA5A (0.32) HTT
Bicarbonate SCHEMBL8039493 0.79 HTT (0.38) HTTTSHRALDH1A1LMNAMAPT
SCHEMBL7047715 0.79 KMT2A (0.41) HTTTSHRALDH1A1LMNAABCC4

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-7239018-B2 Composition for forming a porous film prepared by hydrolysis and condensation of an alkoxysilane using a trialkylmethylammonium hydroxide catalyst SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-07-03 US disclosed
US-20040180554-A1 Composition for forming porous film and method for forming the same, porous film and method for forming the same, interlevel insulator film, and semiconductor device SHIN-ETSU CHEMICAL CO., LTD. 2004-09-16 US disclosed