Bicarbonate

Bicarbonate

SCHEMBL28678945

N#CCCN.N#CCCN.O=C(O)O

nearest known ligand 0.73

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
KMT2A Q03164 4/20 0.73
MEN1 O00255 3/20 0.73
LOX P28300 1/20 0.71
LOXL3 P58215 1/20 0.71
LOXL2 Q9Y4K0 1/20 0.71
SLC1A2 P43004 3/20 0.40
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LCK P06239 1/20 0.36
GLRA1 P23415 1/20 0.35
SLC6A9 P48067 1/20 0.35
OR51E2 Q9H255 1/20 0.35
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 2/20 0.33
BLM P54132 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
GABRP O00591 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 SCHEMBL909963 1.00
Oxalic Acid SCHEMBL11876639 0.92 KMT2A (0.70) KMT2AMEN1LOXLOXL3LOXL2
Carbamic Acid SCHEMBL28684032 0.92
Fumaric Acid SCHEMBL694 0.85 MEN1 (1.00) KMT2AMEN1LOXLOXL3LOXL2
Propionic Acid SCHEMBL28712838 0.85 KMT2A (0.61) KMT2AMEN1LOXLOXL3LOXL2
Beta-Alanine SCHEMBL28248711 0.85 KMT2A (0.61) KMT2AMEN1LOXLOXL3LOXL2
Fumaric Acid SCHEMBL28115011 0.85 MEN1 (1.00) KMT2AMEN1LOXLOXL3LOXL2
Fumaric Acid SCHEMBL695 0.85 MEN1 (1.00) KMT2AMEN1LOXLOXL3LOXL2
SCHEMBL339 0.84
SCHEMBL27565622 0.84 LOX (1.00) KMT2AMEN1LOXLOXL3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311184-B Prepreg, fiber-reinforced composite material, and surface-modified reinforcing fiber 帝人株式会社 2022-01-18 CN disclosed