Bicarbonate

Bicarbonate

SCHEMBL981137

C=CC(=Cc1ccccc1)c1ccccc1.O=C(O)O

nearest known ligand 0.52

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
AKT1 P31749 1/20 0.52
AKR1C1 Q04828 1/20 0.52
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
AKR1C3 P42330 1/20 0.44
PRMT1 Q99873 1/20 0.43
PLIN1 O60240 1/20 0.42
BCHE P06276 1/20 0.42
TNFRSF1A P19438 1/20 0.42
ACHE P22303 1/20 0.42
MAOB P27338 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL8608503 0.94 AKR1C1 (0.47) AKT1AKR1C1ALDH1A1MAPTLMNA
SCHEMBL1304548 0.94 AKR1C1 (0.47) AKT1AKR1C1ALDH1A1MAPTLMNA
SCHEMBL8829794 0.92 AKR1C1 (0.45) AKT1AKR1C1ALDH1A1MAPTLMNA
SCHEMBL5586432 0.81 CYP19A1 (0.61) AKT1AKR1C1ALDH1A1MAPTLMNA
SCHEMBL27775387 0.81 CYP19A1 (0.52) AKR1C1ALDH1A1MAPTLMNAMEN1
SCHEMBL4817483 0.78 HDAC3 (0.54) AKR1C1ALDH1A1MAPTLMNAPOLB
SCHEMBL7995907 0.77 ALDH1A1 (0.54) AKR1C1ALDH1A1MAPTLMNAPOLB
SCHEMBL566814 0.77 ALDH1A1 (0.54) AKR1C1ALDH1A1MAPTLMNAPOLB
SCHEMBL566813 0.77 ALDH1A1 (0.54) AKR1C1ALDH1A1MAPTLMNAPOLB
SCHEMBL14970312 0.77 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMEN1HPGD

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
EP-1892789-B1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2018-02-28 EP disclosed
US-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed