Bicarbonate

Bicarbonate

SCHEMBL6548682

CCCCC(C)N.O=C(O)O

nearest known ligand 0.64

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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
OPRM1 P35372 1/20 0.64
TP53 P04637 1/20 0.61
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50

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
Oxalic Acid SCHEMBL28713732 0.93 OPRM1 (0.61) OPRM1TP53GABRPGABRDGABRA1
Oxalic Acid SCHEMBL28713733 0.93 OPRM1 (0.61) OPRM1TP53GABRPGABRDGABRA1
Acetic Acid SCHEMBL5571311 0.93 OPRM1 (0.61) OPRM1TP53GABRPGABRDGABRA1
Tuaminoheptane SCHEMBL25287775 0.93 OPRM1 (0.76) OPRM1TP53GABRPGABRDGABRA1
Tuaminoheptane SCHEMBL8359697 0.93 OPRM1 (0.76) OPRM1TP53GABRPGABRDGABRA1
Tuaminoheptane SCHEMBL3365884 0.93 OPRM1 (0.76) OPRM1TP53GABRPGABRDGABRA1
Bicarbonate SCHEMBL9188645 0.91 OPRM1 (0.73) OPRM1TP53SLC1A2SLC1A1CA1
Adipic Acid SCHEMBL28356792 0.87 GABRP (0.61) OPRM1GABRPGABRDGABRA1GABRB1
Cadaverine Tartrate SCHEMBL4889963 0.87 OPRM1 (0.54) OPRM1TP53GABRPGABRDGABRA1
Adipic Acid SCHEMBL27884363 0.87 GABRP (0.61) OPRM1GABRPGABRDGABRA1GABRB1

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-1021528-B1 METHODS OF REFOLDING PROTEINS BY USE OF ZWITTERIONIC LOW MOLECULAR WEIGHT AGENTS INST GENETICS LLC (US) 2004-01-28 EP claimed