Bicarbonate

Bicarbonate

SCHEMBL5161378

N#CC(Cl)(Cl)Cl.O=C([O-])[O-].[K+].[K+]

nearest known ligand 0.56

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 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TSHR P16473 2/20 0.56
CA4 P22748 3/20 0.37
FAHD1 Q6P587 1/20 0.33
TP53 P04637 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
Urea SCHEMBL27768242 0.78 ALDH1A1 (0.60) ALDH1A1TSHRTP53
Potassium Ion SCHEMBL8115754 0.72 CA4 (0.43) CA4FAHD1
Potassium Ion SCHEMBL8854854 0.72
SCHEMBL27750845 0.71
SCHEMBL9683824 0.71
SCHEMBL4158386 0.71 ALDH1A1 (0.90) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4078190 0.71
Phosphoric Acid SCHEMBL15389164 0.71 ALDH1A1 (0.60) ALDH1A1TSHR
Bicarbonate SCHEMBL8533360 0.71 CA4 (0.60) CA4FAHD1
Bicarbonate SCHEMBL22476039 0.71 CA4 (0.46) TSHRCA4FAHD1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852500-A4 MODIFIED ETHER GLYCEROGLYCOLIPIDS ZENEUS PHARMA LTD (GB) 2007-11-14 EP disclosed
US-6573246-B1 Anticancer agents THE LIPOSOME COMPANY, INC. 2003-06-03 US disclosed
US-6153736-A ANTICANCER AGENTS THE LIPOSOME COMPANY, INC. (US) 2000-11-28 US disclosed
EP-0852500-A1 MODIFIED ETHER GLYCEROGLYCOLIPIDS THE LIPOSOME COMPANY, INC. (US) 1998-07-15 EP disclosed
WO-1997011707-A1 MODIFIED ETHER GLYCEROGLYCOLIPIDS THE LIPOSOME COMPANY, INC. (US) 1997-04-03 WO disclosed