Bicarbonate

Bicarbonate

SCHEMBL4901524

CC(O)C(O)c1ccccc1.O=C(O)O

nearest known ligand 0.58

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
LMNA P02545 4/20 0.58
KDM4E B2RXH2 3/20 0.58
ADRA2C P18825 2/20 0.58
ADRA2A P08913 1/20 0.58
HIF1A Q16665 1/20 0.58
ALDH1A1 P00352 4/20 0.56
CYP2D6 P10635 2/20 0.54
CHRM2 P08172 1/20 0.54
ADRA1A P35348 1/20 0.54
RGS12 O14924 1/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR2A P28223 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL28117044 0.93 KDM4E (0.65) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL6543382 0.93 KDM4E (0.65) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL6483432 0.93 KDM4E (0.65) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL5353745 0.93 KDM4E (0.65) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL517001 0.93 KDM4E (0.65) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL25159 0.93 KDM4E (0.65) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL12761516 0.93 KDM4E (0.65) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL1954690 0.93 KDM4E (0.65) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL6689612 0.93 KDM4E (0.65) LMNAKDM4EADRA2CADRA2AHIF1A
SCHEMBL28002029 0.86 KDM4E (0.58) LMNAKDM4EADRA2CADRA2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082729-A PROCESS FOR THE PREPARATION OF OXYMETHYLENE POLYMERS HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-04 US claimed
US-20080097077-A1 Method For Producing Polyoxymethylenes BASF AKTIENGESELLSCHAFT (DE) 2008-04-24 US disclosed
US-4082729-A PROCESS FOR THE PREPARATION OF OXYMETHYLENE POLYMERS HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-04 US disclosed