Sugi Predict

Sugi Predict / Compounds / Bicarbonate

Bicarbonate

Bicarbonate

SCHEMBL4949667

CC(COC(=O)O)OC(=O)O.COC(=O)OC.O=C(O)O

nearest known ligand 0.32

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 4)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ TSHR P16473 3/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5960171 0.98 MTNR1A (0.33) MTNR1AMTNR1BTSHRSMN1; SMN2
SCHEMBL1628670 0.92 MTNR1A (0.30) MTNR1AMTNR1B
Bicarbonate SCHEMBL325795 0.92 TSHR (0.35) TSHRSMN1; SMN2
Methoxymethane SCHEMBL14949525 0.90 TSHR (0.34) TSHR
SCHEMBL15053822 0.89 TSHR (0.37) TSHRSMN1; SMN2
SCHEMBL8727210 0.89 TSHR (0.37) TSHRSMN1; SMN2
SCHEMBL748244 0.89 TSHR (0.37) TSHRSMN1; SMN2
SCHEMBL15308 0.89 TSHR (0.37) TSHRSMN1; SMN2
SCHEMBL16858657 0.89 ALDH1A1 (0.45) SMN1; SMN2
SCHEMBL20293761 0.89 ALDH1A1 (0.40) SMN1; SMN2

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-1643572-B1 Anode active material and battery using the same SONY CORP (JP) 2008-09-03 — — EP disclosed