Bicarbonate

Bicarbonate

SCHEMBL1867009

CCCCCCC#CC(=O)OC.O=C(O)O

nearest known ligand 0.63

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
PTPN7 P35236 5/20 0.52
HMGCR P04035 5/20 0.52
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
EPHX2 P34913 4/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SELP P16109 1/20 0.41
MMP2 P08253 1/20 0.40
MMP12 P39900 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
SCHEMBL4845876 0.96 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL31317692 0.96 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL272763 0.96 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL3503759 0.96 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL28249427 0.96 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL9336107 0.96 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL28336578 0.96 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL28250106 0.94 PTPN7 (0.48) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL158657 0.94 PTPN7 (0.47) PTPN7HMGCRRECQLTDP1EPHX2
SCHEMBL28200583 0.94 PTPN7 (0.47) PTPN7HMGCRRECQLTDP1EPHX2

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-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed