Bicarbonate

Bicarbonate

SCHEMBL28245804

CC(C)CCCCCc1ccccc1.O=C(O)O

nearest known ligand 0.58

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
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58
MAPT P10636 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.55
TRPA1 O75762 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LTB4R Q15722 3/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
S1PR2 O95136 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
ALOX5 P09917 1/20 0.50
HDAC3 O15379 1/20 0.50

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
SCHEMBL7263621 0.92 SIGMAR1 (0.53) LMNAPKM
SCHEMBL11749172 0.92 SIGMAR1 (0.53) LMNAPKM
SCHEMBL11099209 0.92 SIGMAR1 (0.53) LMNAPKM
SCHEMBL1299996 0.92 SIGMAR1 (0.53) LMNAPKM
SCHEMBL6568208 0.92 SIGMAR1 (0.53) LMNAPKM
SCHEMBL7864102 0.92 SIGMAR1 (0.53) LMNAPKM
SCHEMBL6569356 0.92 SIGMAR1 (0.53) LMNAPKM
SCHEMBL8332808 0.92 SIGMAR1 (0.53) LMNAPKM
SCHEMBL21802444 0.92 SIGMAR1 (0.53) LMNAPKM
Ammonia Solution, Strong SCHEMBL3127075 0.90 SIGMAR1 (0.52) LMNAPKM

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-104640837-B Method using vapor recompression for continuously preparing aryl carbonate Arrcostab and/or diaryl carbonate 沙特基础全球技术有限公司 2018-09-25 CN disclosed