Bicarbonate

Bicarbonate

SCHEMBL7569185

O=C(O)O.O=C(O)O.c1ccc(C2CCCC2c2ccccc2)cc1

nearest known ligand 0.57

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
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 2/20 0.49
SLC18A3 Q16572 1/20 0.47
HDAC4 P56524 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
FABP7 O15540 2/20 0.46
FABP3 P05413 2/20 0.46
FABP5 Q01469 2/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
GRIA4 P48058 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
SSTR4 P31391 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44

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
Cyclohexane SCHEMBL7567386 0.93 MEN1 (0.60) MEN1KMT2AHPGDHDAC4HRH3
Bicarbonate SCHEMBL7575978 0.90 HDAC4 (0.50) MEN1KMT2AHPGDHDAC4SMN1; SMN2
SCHEMBL7569180 0.87 MEN1 (0.50) MEN1KMT2AHPGDSLC18A3HDAC4
SCHEMBL415662 0.85 MEN1 (0.65) MEN1KMT2AHPGDALDH1A1MAOA
SCHEMBL11904658 0.85 MEN1 (0.65) MEN1KMT2AHPGDALDH1A1MAOA
SCHEMBL7352068 0.83 KCNQ3 (0.53) MEN1KMT2AHPGDHDAC4HRH3
SCHEMBL7352063 0.83 KCNQ3 (0.53) MEN1KMT2AHPGDHDAC4HRH3
SCHEMBL4522521 0.83 KCNQ3 (0.53) MEN1KMT2AHPGDHDAC4HRH3
SCHEMBL12592455 0.83 KCNQ3 (0.53) MEN1KMT2AHPGDHDAC4HRH3
SCHEMBL839092 0.83 KCNQ3 (0.53) MEN1KMT2AHPGDHDAC4HRH3

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
EP-0926118-B1 Process for the purification of bisphenols and preparation of polycarbonates therefrom GEN ELECTRIC (US) 2002-09-11 EP disclosed
US-6008315-A REACTING A PHENOL AND A KETONE TO FORM BISPHENOL IN SOLUTION OR A MIXED SOLUTION OF PHENOL AND BISPHENOL, AND THE IMPROVEMENT COMPRISES FILTERING IN A NONCONTAMINATING, HEAT RESISTANT, REUSABLE CALCINED METAL FILTER GENERAL ELECTRIC COMPANY (US) 1999-12-28 US disclosed
EP-0926118-A1 Process for the purification of bisphenols and preparation of polycarbonates therefrom GENERAL ELECTRIC COMPANY (US) 1999-06-30 EP disclosed