Bicarbonate

Bicarbonate

SCHEMBL5548474

CN(CCNC(=O)OC(C)(C)C)C1CC1.O=C([O-])O.[K+]

nearest known ligand 0.44

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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
EPHX1 P07099 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34

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
SCHEMBL1495989 0.93 EPHX1 (0.49) EPHX1KMT2AMEN1GAATDP1
SCHEMBL13744596 0.87 EPHX1 (0.45) EPHX1KMT2AMEN1GAATDP1
SCHEMBL24951947 0.87 EPHX1 (0.54) EPHX1KMT2AMEN1GAATDP1
SCHEMBL6896596 0.86 EPHX1 (0.56) EPHX1KMT2AMEN1GAATDP1
SCHEMBL15778776 0.85 EPHX1 (0.41) EPHX1KMT2AMEN1GAATDP1
SCHEMBL21244678 0.84 EPHX1 (0.42) EPHX1KMT2AMEN1GAATDP1
SCHEMBL4622655 0.83 EPHX1 (0.44) EPHX1KMT2AMEN1GAATDP1
SCHEMBL24951478 0.83 EPHX1 (0.44) EPHX1KMT2AMEN1GAATDP1
SCHEMBL21244986 0.82 EPHX1 (0.43) EPHX1KMT2AMEN1GAATDP1
SCHEMBL28174703 0.82 EPHX1 (0.40) EPHX1KMT2AMEN1GAATDP1

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
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed