Bicarbonate

Bicarbonate

SCHEMBL7445647

O=C(O)O.Oc1ccc(C2CCNCC2O)cc1

nearest known ligand 0.43

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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 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL19097411 0.93 ESR2 (0.41) TLR9TLR8TLR7ESR2
SCHEMBL8193235 0.93 ESR2 (0.41) TLR9TLR8TLR7ESR2
SCHEMBL6042043 0.93 ESR2 (0.41) TLR9TLR8TLR7ESR2
Hydrochloric Acid SCHEMBL4601092 0.92 GRK2 (0.41) TLR9TLR8TLR7ESR2
Bicarbonate SCHEMBL7443967 0.87 MAPT (0.49) JAK3MAPTPKMFPR1FPR2
SCHEMBL8317532 0.81 KDM1A (0.50) MAPTPKMFPR1FPR2
SCHEMBL11565322 0.81 KDM1A (0.50) MAPTPKMFPR1FPR2
SCHEMBL407883 0.81 KDM1A (0.50) MAPTPKMFPR1FPR2
SCHEMBL8471748 0.81 KDM1A (0.50) MAPTPKMFPR1FPR2
SCHEMBL8870050 0.81 KDM1A (0.50) MAPTPKMFPR1FPR2

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-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed