Bicarbonate

Bicarbonate

SCHEMBL236924

CC(C)c1cccc(C(=O)O)c1O.CC(C)c1cccc(C(=O)O)c1O.O=C(O)O

nearest known ligand 0.64

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
GABRA1 P14867 3/20 0.59
HPGD P15428 2/20 0.59
CYP3A4 P08684 2/20 0.59
GABRB1 P18505 2/20 0.59
LMNA P02545 2/20 0.59
GABRB2 P47870 2/20 0.59
FAAH O00519 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.59
GABRG2 P18507 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2C P28335 1/20 0.59
GABRB3 P28472 1/20 0.59
GABRA5 P31644 1/20 0.59
GABRA3 P34903 1/20 0.59
HTR2B P41595 1/20 0.59
GABRA2 P47869 1/20 0.59

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
SCHEMBL39140 0.98 HPGD (0.61) GABRA1HPGDCYP3A4GABRB1LMNA
SCHEMBL31011017 0.98 HPGD (0.61) GABRA1HPGDCYP3A4GABRB1LMNA
SCHEMBL20853605 0.86 GABRA1 (0.61) GABRA1HPGDCYP3A4GABRB1LMNA
Propofol SCHEMBL4023094 0.86 GABRA1 (0.81) GABRA1HPGDCYP3A4GABRB1LMNA
SCHEMBL1039957 0.85 ALDH1A1 (0.55) GABRA1HPGDCYP3A4GABRB1LMNA
SCHEMBL2164384 0.84 HPGD (0.46) GABRA1HPGDCYP3A4GABRB1LMNA
SCHEMBL31123826 0.84 GABRA1 (0.64) GABRA1HPGDCYP3A4GABRB1LMNA
SCHEMBL8680640 0.84 GABRA1 (0.64) GABRA1HPGDCYP3A4GABRB1LMNA
SCHEMBL10603918 0.83 ALDH1A1 (0.53) GABRA1HPGDCYP3A4GABRB1LMNA
SCHEMBL29484676 0.82 GABRA1 (0.61) GABRA1HPGDCYP3A4GABRB1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371609-A1 PLASTIC FILMS WITH REDUCED UV ACTIVITY COVESTRO LLC 2021-12-02 US disclosed
EP-3707198-B1 PLASTIC FILMS WITH REDUCED UV ACTIVITY COVESTRO DEUTSCHLAND AG (DE) 2021-10-27 EP disclosed
EP-3707198-A1 PLASTIC FILMS WITH REDUCED UV ACTIVITY Covestro Deutschland AG (DE) 2020-09-16 EP disclosed
US-10131178-B2 Layered structure and films for ID documents having improved properties for laser engraving COVESTRO DEUTSCHLAND AG (DE) 2018-11-20 US disclosed
EP-2820071-B1 PROCESS FOR THE PRODUCTION OF LOW STRESS AND OPTICAL QUALITY FILM FOR USE IN OPTO-ELECTRONIC DEVICES COVESTRO DEUTSCHLAND AG (DE) 2017-03-22 EP disclosed
EP-2820071-A1 PROCESS FOR THE PRODUCTION OF LOW STRESS AND OPTICAL QUALITY FILM FOR USE IN OPTO-ELECTRONIC DEVICES Bayer Intellectual Property GmbH (DE) 2015-01-07 EP disclosed
WO-2013127851-A1 PROCESS FOR THE PRODUCTION OF LOW STRESS AND OPTICAL QUALITY FILM FOR USE IN OPTO-ELECTRONIC DEVICES BAYER MATERIALSCIENCE AG (DE) 2013-09-06 WO disclosed
EP-2634208-A1 Process for the production of low stress and optical quality film for use in opto-electronic devices Bayer MaterialScience AG (DE) 2013-09-04 EP disclosed
US-20120001413-A1 LAYER STRUCTURE AND FILMS FOR ID DOCUMENTS HAVING IMPROVED PROPERTIES FOR LASER ENGRAVING BAYER MATERIALSCIENCE AG (DE) 2012-01-05 US disclosed
US-20110193337-A1 FORGERY-PROOF SECURITY FEATURES IN SECURITY OR VALUE DOCUMENTS BAYER MATERIAL SCIENCE AG (DE) 2011-08-11 US disclosed
US-7250483-B2 Inhibition of catalytically active impurities in polycarbonate by the melt transesterification process BAYER MATERIALSCIENCE AG (DE) 2007-07-31 US disclosed
US-7091302-B2 Process for the preparation of polycarbonate BAYER MATERIALSCIENCE AG (DE) 2006-08-15 US disclosed
US-20060004178-A1 Inhibition of catalytically active impurities in polycarbonate by the melt transesterification process COVESTRO DEUTSCHLAND AG (DE) 2006-01-05 US disclosed
US-20050239995-A1 Process for the preparation of polycarbonate BAYER MATERIALSCIENCE AG 2005-10-27 US disclosed