Bicarbonate

Bicarbonate

SCHEMBL7091204

COc1ccc(CN)cc1OC1CCCC1.O=C(O)O

nearest known ligand 0.58

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 7)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.58
PDE4B Q07343 13/20 0.57
PDE4A P27815 10/20 0.57
PDE4D Q08499 10/20 0.57
PDE4C Q08493 9/20 0.57
MAPK14 Q16539 1/20 0.54
POLB P06746 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
SCHEMBL2956981 0.93 CSNK2A1 (0.66) CSNK2A1PDE4BPDE4APDE4DPDE4C
SCHEMBL2371289 0.85 PDE4B (0.60) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7335293 0.83 PDE4A (0.58) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7324348 0.83 PDE4B (0.56) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7353001 0.82 KDM4E (0.66) CSNK2A1PDE4BPDE4APDE4DPDE4C
SCHEMBL7420826 0.82 PDE4A (0.57) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL7088472 0.82 PDE4B (0.65) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL2958828 0.81 RECQL (0.60) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7023339 0.81 PDE4B (0.55) PDE4BPDE4APDE4DPDE4CMAPK14
SCHEMBL7332617 0.81 PDE4B (0.58) PDE4BPDE4APDE4DPDE4CPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814809-B1 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 2003-08-13 EP disclosed
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed