Bicarbonate

Bicarbonate

SCHEMBL9719408

CCCC(Cl)C(Cl)(Cl)C(Cl)=C(Cl)Cl.O=C(O)O.O=C(O)O

nearest known ligand 0.35

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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
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIK1 P39086 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GRIK2 Q13002 1/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 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
SCHEMBL898837 0.79 CHRM1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9002370 0.74
SCHEMBL9588040 0.74
SCHEMBL9326012 0.72
SCHEMBL31171155 0.70 GPR84 (0.41) GRIK1SLC1A2SLC1A1GRIK2TSHR
SCHEMBL3369505 0.68 CA2 (0.42) SLC1A3SLC1A2SLC1A1
SCHEMBL3368465 0.67 GPR84 (0.44) GRIK1SLC1A2SLC1A1GRIK2
SCHEMBL6970099 0.67
SCHEMBL1707213 0.65 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3371201 0.65 GPR84 (0.47) GRIK1GRIK2TSHR

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
EP-0302296-B1 PROCESS FOR THE PREPARATION OF A MULTILAYER PROTECTIVE AND/OR DECORATIVE COATING ON A SUBSTRATE SURFACE BASF Lacke + Farben AG (DE) 1992-10-21 EP disclosed
EP-0377570-A1 COATING COMPOSITIONS AND PROCESS FOR MANUFACTURING A MULTILAYER PROTECTIVE AND/OR DECORATIVE COAT ON THE SURFACE OF A SUBSTRATE BASF Lacke + Farben AG (DE) 1990-07-18 EP disclosed
WO-1989001004-A1 COATING COMPOSITIONS AND PROCESS FOR MANUFACTURING A MULTILAYER PROTECTIVE AND/OR DECORATIVE COAT ON THE SURFACE OF A SUBSTRATE BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1989-02-09 WO disclosed
EP-0302296-A1 Process for the preparation of a multilayer protective and/or decorative coating on a substrate surface BASF Lacke + Farben AG (DE) 1989-02-08 EP disclosed