Bicarbonate

Bicarbonate

SCHEMBL7070186

CCCC/C=C(\C)CCC=C(C)C.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 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
FNTA P49354 5/20 0.59
FNTB P49356 5/20 0.59
KDM4E B2RXH2 1/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX15 P16050 1/20 0.53
UGT1A1 P22309 1/20 0.53
SQLE Q14534 4/20 0.53
TRPA1 O75762 1/20 0.53

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
SCHEMBL2992758 0.92 KMT2A (0.70) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL27843331 0.92 KMT2A (0.70) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL12818876 0.92 KMT2A (0.70) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4663422 0.92 KMT2A (0.70) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL24434263 0.86 KMT2A (0.67) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL15158145 0.86 KMT2A (0.67) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL8657303 0.84 KMT2A (0.64) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL5082786 0.84 KMT2A (0.64) KMT2AKDM4EMAPTMEN1ALDH1A1
Squalene SCHEMBL6425147 0.84 KMT2A (0.77) KMT2AFNTAFNTBKDM4EMAPT
Squalene SCHEMBL27987016 0.84 KMT2A (0.77) KMT2AFNTAFNTBKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158995-B1 BIOLOGICALLY ACTIVE COMPOUNDS OF GANODERMA PFEIFFERI DMS 13239 GANOMYCIN GES FUER BIOMEDIZINI (DE) 2003-06-18 EP disclosed
EP-1158995-A1 BIOLOGICALLY ACTIVE COMPOUNDS OF GANODERMA PFEIFFERI DMS 13239 Ganomycin Gesellschaft für Biomedizinische Forschung mbH (DE) 2001-12-05 EP disclosed
WO-2000053207-A1 BIOLOGICALLY ACTIVE COMPOUNDS OF $I(GANODERMA PFEIFFERI) DMS 13239 GANOMYCIN GESELLSCHAFT FÜR BIOMEDIZINISCHE FORSCHUNG MBH ; (DE) 2000-09-14 WO disclosed