Bicarbonate

Bicarbonate

SCHEMBL2768596

CC(C)CC(C)O.O=C(O)O

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
RNPEP Q9H4A4 1/20 0.48
SLC7A5 Q01650 1/20 0.48
TP53 P04637 1/20 0.42
CACNA2D1 P54289 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
CPA1 P15085 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
Acetic Acid SCHEMBL1133178 0.91 RNPEP (0.46) RNPEPSLC7A5TP53CACNA2D1ALDH1A1
Acetone SCHEMBL28261400 0.88 ALDH1A1 (0.43) RNPEPSLC7A5TP53CACNA2D1ALDH1A1
Bicarbonate SCHEMBL15411238 0.87 TP53 (0.47) RNPEPSLC7A5TP53ALDH1A1LMNA
SCHEMBL1089695 0.87
SCHEMBL1090210 0.87
SCHEMBL17766840 0.87 TSHR (0.47) RNPEPSLC7A5ALDH1A1LMNACYP2D6
SCHEMBL15658 0.87
Succinic Acid SCHEMBL28824867 0.86 LMNA (0.47) RNPEPSLC7A5CACNA2D1ALDH1A1CACNB3
Methyl Alcohol SCHEMBL19457756 0.83
SCHEMBL27825545 0.83

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1639119-B1 METHOD FOR THE MICROBIOLOGICAL ISOMERISATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS BASF SE (DE) 2010-04-21 EP claimed
EP-1639119-A1 METHOD FOR THE MICROBIOLOGICAL ISOMERISATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2006-03-29 EP claimed
WO-2004111257-A1 METHOD FOR THE MICROBIOLOGICAL ISOMERISATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-12-23 WO claimed
EP-1639119-B1 METHOD FOR THE MICROBIOLOGICAL ISOMERISATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS BASF SE (DE) 2010-04-21 EP disclosed
EP-1639119-A1 METHOD FOR THE MICROBIOLOGICAL ISOMERISATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2006-03-29 EP disclosed
WO-2004111257-A1 METHOD FOR THE MICROBIOLOGICAL ISOMERISATION OF ALPHA-HYDROXY CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-12-23 WO disclosed