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Bicarbonate

Bicarbonate

SCHEMBL4209090

O=C(O)[C@H](CCN1C(=O)c2ccccc2C1=O)[C@H](O)CCc1ccc(-c2ccc(Cl)cc2)cc1.O=C(O)[C@H](CCN1C(=O)c2ccccc2C1=O)[C@H](O)CCc1ccc(-c2ccc(Cl)cc2)cc1.O=C([O-])[O-].[K+].[K+]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

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 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 18/20 0.56
▸ MMP9 P14780 18/20 0.56
▸ TDP1 Q9NUW8 1/20 0.43
▸ MMP1 P03956 3/20 0.43
▸ MMP3 P08254 3/20 0.43
▸ MMP13 P45452 3/20 0.43

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 SCHEMBL4209084 1.00 MMP2 (0.56) MMP2MMP9TDP1MMP1MMP3
SCHEMBL1843957 0.96 MMP2 (0.57) MMP2MMP9TDP1MMP1MMP3
SCHEMBL379128 0.96 MMP2 (0.57) MMP2MMP9TDP1MMP1MMP3
SCHEMBL379534 0.96 MMP2 (0.57) MMP2MMP9TDP1MMP1MMP3
SCHEMBL4923108 0.96 MMP2 (0.57) MMP2MMP9TDP1MMP1MMP3
SCHEMBL379943 0.96 MMP2 (0.57) MMP2MMP9TDP1MMP1MMP3
SCHEMBL1843362 0.89 MMP2 (0.48) MMP2MMP9TDP1MMP1MMP3
SCHEMBL1409960 0.89 MMP2 (0.48) MMP2MMP9TDP1MMP1MMP3
SCHEMBL4219321 0.89 MMP2 (0.48) MMP2MMP9TDP1MMP1MMP3
SCHEMBL4931548 0.89 MMP2 (0.49) MMP2MMP9TDP1MMP1MMP3

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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 — — EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 — — WO disclosed