Bicarbonate

Bicarbonate

SCHEMBL6550780

CC(N)COC1CCCCC1.O=C(O)O

nearest known ligand 0.46

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 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.37
▸ SLC1A3 P43003 3/20 0.37
▸ SLC1A2 P43004 3/20 0.37
▸ SLC1A1 P43005 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LNPEP Q9UIQ6 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NAAA Q02083 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN3A Q9NY46 1/20 0.34

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
SCHEMBL23465603 0.90 NPC1 (0.38) EPHX1ALDH1A1KDM4ELMNA
SCHEMBL21325445 0.90 NPC1 (0.38) EPHX1ALDH1A1KDM4ELMNA
SCHEMBL721104 0.81 SLC1A3 (0.44) EPHX1SLC1A3SLC1A2SLC1A1ALDH1A1
SCHEMBL25662304 0.79 GRIK1 (0.44) SLC1A3SLC1A2SLC1A1ALDH1A1LNPEP
SCHEMBL3447889 0.79 GRIK1 (0.44) SLC1A3SLC1A2SLC1A1ALDH1A1LNPEP
SCHEMBL724270 0.79 GRIK1 (0.44) SLC1A3SLC1A2SLC1A1ALDH1A1LNPEP
SCHEMBL27993530 0.77 ALDH1A1 (0.35) EPHX1ALDH1A1KDM4ENAAACYP1A2
SCHEMBL25356877 0.77 GRIK1 (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1CYP1A2
SCHEMBL25356880 0.77 GRIK1 (0.42) SLC1A3SLC1A2SLC1A1ALDH1A1CYP1A2
SCHEMBL24954297 0.74 GABRP (0.32) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043376-B1 Use of anionic or cationic plasticizers with sulfonated polyesters in hot melt formulations NAT STARCH CHEM INVEST (US) 2004-12-08 — — EP claimed
EP-0364331-B1 Water-dissipatable polyester resins and coatings prepared therefrom EASTMAN KODAK CO (US) 1994-06-08 — — EP claimed
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