Bicarbonate

Bicarbonate

SCHEMBL20548533

Brc1cccc(OC2CCCC2)c1.O=C([O-])[O-].[K+].[K+]

nearest known ligand 0.52

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
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LNPEP Q9UIQ6 1/20 0.47
KAT6A Q92794 2/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC4 P56524 1/20 0.41
MEF2D Q14814 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
ACACB O00763 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 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
SCHEMBL30124975 0.89 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3LNPEPKAT6A
SCHEMBL1337657 0.89 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3LNPEPKAT6A
SCHEMBL2320394 0.87 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3LNPEPKAT6A
SCHEMBL29735165 0.85 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3LNPEPPARP10
SCHEMBL1438129 0.85 SLC6A4 (0.63) SLC6A2SLC6A4SLC6A3LNPEPPARP10
SCHEMBL29711702 0.82 SLC6A4 (0.67) SLC6A2SLC6A4SLC6A3LNPEP
SCHEMBL1416985 0.82 SLC6A4 (0.67) SLC6A2SLC6A4SLC6A3LNPEP
SCHEMBL26637455 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LNPEPKMT2A
SCHEMBL26637453 0.79 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LNPEPKMT2A
SCHEMBL15637209 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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-2566847-B1 NOVEL IMMUNOMODULATOR AND ANTI INFLAMMATORY COMPOUNDS ICOZEN THERAPEUTICS PVT LTD (IN) 2018-11-07 EP disclosed