Bicarbonate

Bicarbonate

SCHEMBL11973864

CCCCc1cccc(C)c1O.O=C([O-])[O-].[Ca+2]

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
▸ IAPP P10997 3/20 0.48
▸ ALOX5 P09917 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ BID P55957 3/20 0.44
▸ MCL1 Q07820 3/20 0.44
▸ BCL2L1 Q07817 2/20 0.44
▸ BAK1 Q16611 2/20 0.44
▸ KAT8 Q9H7Z6 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ EP300 Q09472 1/20 0.44
▸ KAT2A Q92830 1/20 0.44
▸ KAT2B Q92831 1/20 0.44
▸ KAT5 Q92993 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44
▸ ELANE P08246 1/20 0.43
▸ CTSG P08311 1/20 0.43
▸ TYR P14679 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB2 P47870 1/20 0.41

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
Acetone SCHEMBL27863904 0.90 IAPP (0.50) IAPPALOX5PTGS2BIDMCL1
SCHEMBL29558088 0.90 ALOX5 (0.54) IAPPALOX5PTGS2BIDMCL1
SCHEMBL21838 0.90 ALOX5 (0.54) IAPPALOX5PTGS2BIDMCL1
Acetic Acid SCHEMBL9466871 0.89 BID (0.49) IAPPALOX5PTGS2BIDMCL1
Water SCHEMBL27618995 0.88 ALOX5 (0.53) IAPPALOX5PTGS2BIDMCL1
SCHEMBL28838335 0.88 ALOX5 (0.53) IAPPALOX5PTGS2BIDMCL1
Acetic Acid SCHEMBL28009227 0.87 BID (0.48) IAPPALOX5PTGS2BIDMCL1
SCHEMBL28838336 0.85 ALOX5 (0.50) IAPPALOX5PTGS2BIDMCL1
SCHEMBL1022161 0.84 ALOX5 (0.62) IAPPALOX5PTGS2BIDMCL1
Methacrylic Acid SCHEMBL6535115 0.83 BID (0.44) IAPPALOX5PTGS2BIDMCL1

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
US-9254329-B2 Stable protective coatings for pharmaceutical dosage forms BASF SE (DE) 2016-02-09 — — US disclosed
US-20120214917-A1 Stable Protective Coatings For Pharmaceutical Dosage Forms BASF SE (DE) 2012-08-23 — — US disclosed
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