Bicarbonate

Bicarbonate

SCHEMBL27963003

CCc1ccccc1OCc1ccccc1.O=C(O)O

nearest known ligand 0.61

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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
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
GAA P10253 2/20 0.59
PTGER1 P34995 2/20 0.56
PTGER4 P35408 2/20 0.56
PTGER3 P43115 2/20 0.56
PTGER2 P43116 2/20 0.56
BRD4 O60885 1/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 1/20 0.55
LIPE Q05469 1/20 0.54
FOLH1 Q04609 1/20 0.54
ABCB1 P08183 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL1894256 0.94 HTR1A (0.67) HTR1ADRD2GAAPTGER1PTGER4
SCHEMBL27714342 0.93 HTR1A (0.65) HTR1ADRD2GAAPTGER1PTGER4
Formaldehyde SCHEMBL27699996 0.91 HTR1A (0.62) HTR1ADRD2GAAPTGER1PTGER4
SCHEMBL7145344 0.83 HTR1A (0.54) HTR1ADRD2GAAPTGER1PTGER4
SCHEMBL68571 0.83 L3MBTL1 (0.69) HTR1ADRD2GAAPTGER1PTGER4
SCHEMBL15336495 0.82 CARM1 (0.57) HTR1ADRD2GAAPTGER1PTGER4
SCHEMBL8283688 0.82 ALDH1A1 (0.67) HTR1ADRD2GAAL3MBTL1MAPT
SCHEMBL31757965 0.82 CFD (0.68) HTR1ADRD2GAAPTGER1PTGER4
SCHEMBL1007508 0.82 CFD (0.68) HTR1ADRD2GAAPTGER1PTGER4
SCHEMBL23259230 0.82 HTR1A (0.56) HTR1ADRD2GAAPTGER1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103764689-A Solid catalyst component for polymerization of olefin, catalyst for polymerization of olefin, and method for producing olefin polymer TOHO TITANIUM CO LTD 2014-04-30 CN disclosed