Bicarbonate

Bicarbonate

SCHEMBL28166502

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

nearest known ligand 0.38

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
ALDH1A1 P00352 5/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
FFAR3 O14843 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
AGTR1 P30556 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31

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 SCHEMBL60768 0.85 FFAR3 (0.44) ALDH1A1TSHRFFAR3CHRM2CHRM4
Bicarbonate SCHEMBL378701 0.85 FFAR3 (0.44) ALDH1A1TSHRFFAR3CHRM2CHRM4
Propene SCHEMBL28217121 0.85 MEN1 (0.40) ALDH1A1TSHRMEN1POLBKMT2A
Acrylic Acid SCHEMBL2413568 0.83 LMNA (0.56) ALDH1A1TSHRMEN1POLBKMT2A
Bicarbonate SCHEMBL4800891 0.82 FFAR3 (0.41) ALDH1A1TSHRFFAR3CHRM2CHRM4
Bicarbonate SCHEMBL7091018 0.82 ALDH1A1 (0.45) ALDH1A1TSHRFFAR3LMNAMAPT
Bicarbonate SCHEMBL4800886 0.82 FFAR3 (0.41) ALDH1A1TSHRFFAR3CHRM2CHRM4
Bicarbonate SCHEMBL28088226 0.82 FFAR3 (0.41) ALDH1A1TSHRFFAR3CHRM2CHRM4
Bicarbonate SCHEMBL4312446 0.82 FFAR3 (0.41) ALDH1A1TSHRFFAR3CHRM2CHRM4
Bicarbonate SCHEMBL28065786 0.82 FFAR3 (0.41) ALDH1A1TSHRFFAR3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105940460-B Reactive resin compositions, circuit pattern and circuit substrate 株式会社大阪曹达 2017-10-31 CN disclosed