Bicarbonate

Bicarbonate

SCHEMBL4484718

NC=Cc1ccccc1.O=C(O)O

nearest known ligand 0.56

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
MAPT P10636 5/20 0.56
HDAC1 Q13547 3/20 0.56
LMNA P02545 3/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
PLIN1 O60240 2/20 0.56
RECQL P46063 2/20 0.56
PLIN5 Q00G26 2/20 0.56
ABHD5 Q8WTS1 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 2/20 0.56
TNKS O95271 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
TNKS2 Q9H2K2 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
SCHEMBL26102 0.89
SCHEMBL26103 0.89
SCHEMBL12992402 0.89
Maleic Acid SCHEMBL8348914 0.89 HDAC3 (0.68) MAPTHDAC1LMNAHDAC3HDAC4
Maleic Acid SCHEMBL8348912 0.89 HDAC3 (0.68) MAPTHDAC1LMNAHDAC3HDAC4
(Z)-1,2-Diphenylethene SCHEMBL29141136 0.87 MAOB (0.59) MAOBMAOACYP19A1TRPA1RELA
Phosphine SCHEMBL29272693 0.87 MAOB (0.55) MAPTHDAC1LMNAHDAC3HDAC4
Hydrochloric Acid SCHEMBL2024092 0.87 MAOB (0.55) MAPTHDAC1LMNAHDAC3HDAC4
SCHEMBL3473868 0.87 MAOB (0.55) MAPTHDAC1LMNAHDAC3HDAC4
Bromide SCHEMBL28992232 0.87 MAOB (0.55) MAPTHDAC1LMNAHDAC3HDAC4

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
US-20090061517-A1 Cell culture apparatus and methods of making and using same UNIVERSITY OF GEORGIA RESEARCH RESEARCH CENTER 2009-03-05 US disclosed