Bicarbonate

Bicarbonate

SCHEMBL6554150

C=CCOC(=O)c1ccc(C(=O)O)cc1.O=C(O)O

nearest known ligand 0.61

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 18)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.58
CYP3A4 P08684 1/20 0.55
CSNK2A2 P19784 1/20 0.48
CSNK2A1 P68400 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.44
RHOA P61586 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
SRD5A2 P31213 1/20 0.40

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
SCHEMBL175787 0.98 SNCA (0.59) SNCACYP3A4CSNK2A2CSNK2A1ALDH1A1
Hydrochloric Acid SCHEMBL9285006 0.96 SNCA (0.58) SNCACYP3A4CSNK2A2CSNK2A1ALDH1A1
SCHEMBL9717267 0.93 SNCA (0.55) SNCACYP3A4CSNK2A2CSNK2A1ALDH1A1
SCHEMBL8664863 0.93 SNCA (0.55) SNCACYP3A4CSNK2A2CSNK2A1ALDH1A1
Paraben SCHEMBL1146606 0.91 SNCA (0.54) SNCACYP3A4CSNK2A2CSNK2A1ALDH1A1
Benzoic Acid SCHEMBL3805160 0.91 CYP3A4 (0.62) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL175786 0.90 SNCA (0.67) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL27564589 0.90 SNCA (0.52) SNCACYP3A4CSNK2A2CSNK2A1ALDH1A1
SCHEMBL11873571 0.87 ALDH1A1 (0.63) SNCACYP3A4ALDH1A1TSHRHSD17B10
Isophthalic Acid SCHEMBL28712224 0.86 CYP3A4 (0.53) SNCACYP3A4ALDH1A1TSHRHSD17B10

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-0933395-B1 Polyester molding composition GEN ELECTRIC (US) 2004-12-22 EP disclosed
EP-0933395-A2 Polyester molding composition GENERAL ELECTRIC COMPANY (US) 1999-08-04 EP disclosed