Bicarbonate

Bicarbonate

SCHEMBL27817579

CCCCCCCCCc1ccc(-c2ccccc2)cc1.O=C(O)O

nearest known ligand 0.73

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
RARB P10826 9/20 0.73
ALDH1A1 P00352 3/20 0.73
RARA P10276 2/20 0.73
MEN1 O00255 1/20 0.73
MAPT P10636 1/20 0.73
MTOR P42345 1/20 0.73
KMT2A Q03164 1/20 0.73
RARG P13631 1/20 0.61
HDAC2 Q92769 2/20 0.59
HSD11B1 P28845 1/20 0.59
HDAC1 Q13547 1/20 0.59
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
Bicarbonate SCHEMBL27643232 1.00 RARB (0.73) RARBALDH1A1RARAMEN1MAPT
Bicarbonate SCHEMBL27623722 0.98 RARB (0.72) RARBALDH1A1RARAMEN1MAPT
Acetic Acid SCHEMBL9000257 0.95 RARB (0.71) RARBALDH1A1RARAMEN1MAPT
Bicarbonate SCHEMBL27623751 0.93 RARB (0.71) RARBALDH1A1RARAMEN1MAPT
SCHEMBL5599589 0.93 HSD11B1 (0.67) RARBALDH1A1RARAMEN1MAPT
SCHEMBL5599226 0.93 HSD11B1 (0.67) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9158137 0.93 HSD11B1 (0.67) RARBALDH1A1RARAMEN1MAPT
SCHEMBL1533772 0.93 HSD11B1 (0.67) RARBALDH1A1RARAMEN1MAPT
SCHEMBL4598933 0.93 HSD11B1 (0.67) RARBALDH1A1RARAMEN1MAPT
SCHEMBL28362102 0.93 HSD11B1 (0.67) RARBALDH1A1RARAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104136508-A Process for the production of low stress and optical quality film for use in opto-electronic devices BAYER MATERIALSCIENCE AG 2014-11-05 CN disclosed
CN-102224010-A Security feature in security or value documents BAYER MATERIALSCIENCE AG 2011-10-19 CN disclosed
CN-102196920-A ID card with laser engraving resistance BAYER MATERIALSCIENCE AG 2011-09-21 CN disclosed
CN-102164753-A Use of plastic films in colour laser printing BAYER MATERIALSCIENCE AG 2011-08-24 CN disclosed