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Bicarbonate

Bicarbonate

SCHEMBL6687376

CCOC(=O)C(C)(C)Oc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cc(F)ccc3n(CCC3CC3)c1=O)N2.CCOC(=O)C(C)(C)Oc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cc(F)ccc3n(CCC3CC3)c1=O)N2.O=C([O-])[O-].[K+].[K+]

nearest known ligand 0.69

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 10)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.69
▸ NR1I2 O75469 1/20 0.64
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PLK1 P53350 2/20 0.35
▸ HIF1A Q16665 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FBP1 P09467 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 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 SCHEMBL6687379 1.00 CYP2C9 (0.69) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6689881 0.97 CYP2C9 (0.73) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6736597 0.89 CYP2C9 (0.76) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6255910 0.89 CYP2C9 (0.80) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6686492 0.86 CYP2C9 (0.85) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6686493 0.86 CYP2C9 (0.85) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6236224 0.85 CYP2C9 (0.80) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6285555 0.83 CYP2C9 (0.83) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6688520 0.83 CYP2C9 (0.88) CYP2C9NR1I2MAPK1HSD17B10PLK1
SCHEMBL6688517 0.83 CYP2C9 (0.88) CYP2C9NR1I2MAPK1HSD17B10PLK1

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
WO-2004052312-A2 ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 — — WO disclosed