Bicarbonate

Bicarbonate

SCHEMBL9809601

O=C(O)O.O=C(O)O.O=c1c2ccccc2sc2ccccc12

nearest known ligand 0.82

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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
KDM4E B2RXH2 3/20 0.58
GPR3 P46089 1/20 0.56
ALDH1A1 P00352 7/20 0.53
MAPT P10636 6/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51

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 SCHEMBL8096275 1.00 KDM4E (0.58) KDM4EGPR3ALDH1A1MAPTNPC1
Bicarbonate SCHEMBL9168209 1.00 KDM4E (0.58) KDM4EGPR3ALDH1A1MAPTNPC1
Acetic Acid SCHEMBL914220 0.91 KDM4E (0.55) KDM4EGPR3ALDH1A1MAPTNPC1
Carbamic Acid SCHEMBL21176817 0.91 KDM4E (0.55) KDM4EGPR3ALDH1A1MAPTNPC1
SCHEMBL11365946 0.91 KDM4E (0.59) KDM4EGPR3ALDH1A1MAPTNPC1
SCHEMBL30515127 0.91 GPR3 (0.68) KDM4EGPR3ALDH1A1MAPTNPC1
SCHEMBL29374932 0.91 GPR3 (0.68) KDM4EGPR3ALDH1A1MAPTNPC1
SCHEMBL9160474 0.91 GPR3 (0.68) KDM4EGPR3ALDH1A1MAPTNPC1
SCHEMBL36332 0.91 GPR3 (0.68) KDM4EGPR3ALDH1A1MAPTNPC1
SCHEMBL10476774 0.91 GPR3 (0.68) KDM4EGPR3ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198798-B1 LIGHT-SENSITIVE POLYCONDENSATES, PROCESS FOR THEIR PREPARATION, MATERIALS COATED THEREWITH AND THEIR USE CIBA-GEIGY AG (CH) 1991-05-29 EP disclosed
EP-0198798-A2 Light-sensitive polycondensates, process for their preparation, materials coated therewith and their use CIBA-GEIGY AG (CH) 1986-10-22 EP disclosed