Sugi Predict

Sugi Predict / Compounds / Bicarbonate

Bicarbonate

Bicarbonate

SCHEMBL583381

CCNC(=O)C1CCC2(CC1)CC(c1cnc3c(cnn3CC)c1NC1CCCCC1)=NO2.O=C(O)O

nearest known ligand 0.48

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 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 12/20 0.48
▸ PDE7A Q13946 1/20 0.48
▸ PDE4D Q08499 8/20 0.41

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
SCHEMBL583116 0.98 PDE4B (0.49) PDE4BPDE7APDE4D
Bicarbonate SCHEMBL582339 0.93 PDE4B (0.52) PDE4BPDE7APDE4D
Bicarbonate SCHEMBL582567 0.93 PDE4B (0.49) PDE4BPDE7APDE4D
SCHEMBL583288 0.92 PDE4B (0.44) PDE4BPDE7A
Bicarbonate SCHEMBL582823 0.92 PDE4B (0.49) PDE4BPDE7APDE4D
SCHEMBL583579 0.92 PDE4B (0.53) PDE4BPDE7A
SCHEMBL583029 0.92 PDE4B (0.50) PDE4BPDE7APDE4D
SCHEMBL582756 0.92 PDE4B (0.54) PDE4BPDE7APDE4D
SCHEMBL582555 0.91 PDE4B (0.51) PDE4BPDE7APDE4D
SCHEMBL582952 0.91 PDE4B (0.43) PDE4BPDE7A

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
EP-2124944-B1 Pyrazolo[3,4-b]pyridine derivatives as phosphodiesterase inhibitors RANBAXY LAB LTD (IN) 2012-02-15 — — EP claimed