Bicarbonate

Bicarbonate

SCHEMBL2763274

CC(C)(C)C1CCC(OO)CC1.O=C(O)O

nearest known ligand 0.44

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 2/20 0.44
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP19A1 P11511 1/20 0.41
EPHX1 P07099 1/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 1/20 0.39
LIPA P38571 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.35
HSD11B1 P28845 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S1PR5 Q9H228 3/20 0.34
CYP2D6 P10635 1/20 0.33

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 SCHEMBL679005 1.00 MAPT (0.44) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
Bicarbonate SCHEMBL35810 1.00 MAPT (0.44) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL2719576 0.91 MAPT (0.41) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL21476541 0.91 MAPT (0.41) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
Bicarbonate SCHEMBL851219 0.84 MAPT (0.45) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
Bicarbonate SCHEMBL2696873 0.84 MAPT (0.45) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
Bicarbonate SCHEMBL28052024 0.82 MAPT (0.47) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL28199763 0.78 MAPT (0.51) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL2380073 0.77 MAPT (0.50) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2
SCHEMBL22733771 0.76 MAPT (0.53) MAPTAPOBEC3AAPOBEC3GHTTSMN1; SMN2

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-2177935-A1 SAFETY AND PREVENTION HELMET VISOR HAVING A SURFACE THAT HAS BEEN TREATED TO PROVIDE EYE PROTECTION AND THERAPY Universidad Complutense De Madrid (ES) 2010-04-21 EP disclosed
US-7524060-B2 Therapeutic contact lens for pseudo-aphakic eyes and/or eyes with retinal neuro-degeneration UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 2009-04-28 US disclosed
US-20090046244-A1 SAFETY HELMET VISOR WITH A TREATED SURFACE FOR EYE PROTECTION AND THERAPY UNIVERSIDAD COMPLUTENSE DE MADRID 2009-02-19 US disclosed
US-20060238703-A1 Therapeutic contact lens for pseudo-aphakic eyes and/or eyes with retinal neuro-degeneration UNIVERSIDAD COMPLUTENSE DE MADRID 2006-10-26 US disclosed