Bicarbonate

Bicarbonate

SCHEMBL9178205

CCCCCCCCCCCCc1ccccc1O.O=C(O)O.[CaH2]

nearest known ligand 0.67

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
BID P55957 6/20 0.67
MCL1 Q07820 6/20 0.67
BCL2L1 Q07817 5/20 0.67
BAK1 Q16611 5/20 0.67
KAT8 Q9H7Z6 3/20 0.67
SAE1 Q9UBE0 2/20 0.67
EP300 Q09472 2/20 0.67
KAT5 Q92993 2/20 0.67
PPARG P37231 1/20 0.67
PPARA Q07869 1/20 0.67
KAT2A Q92830 1/20 0.67
KAT2B Q92831 1/20 0.67
F7 P08709 3/20 0.57
F3 P13726 3/20 0.57
MMP2 P08253 2/20 0.57
MAPT P10636 2/20 0.57
ALOX15 P16050 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ECE1 P42892 1/20 0.57
SGMS1 Q86VZ5 1/20 0.57

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
Bicarbonate SCHEMBL9178295 1.00 BID (0.67) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL9175297 0.98 BID (0.69) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL9170233 0.98 BID (0.69) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL4863706 0.98 BID (0.69) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL9175273 0.97 BID (0.67) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL11359039 0.97 BID (0.67) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL8331268 0.97 BID (0.67) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL11367684 0.97 BID (0.67) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL9176528 0.97 BID (0.67) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL9177202 0.97 BID (0.67) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394547-B1 Stabilized chlorine-containing resin composition AKISHIMA KAGAKU KOGYO (JP) 1995-05-24 EP disclosed
US-5004776-A And overbased alkaline earth metal carboxylate or phenolate complex AKISHIMA CHEMICAL INDUSTRIES CO., LTD. (JP) 1991-04-02 US disclosed
EP-0394547-A2 Stabilized chlorine-containing resin composition AKISHIMA CHEMICAL INDUSTRIES CO. LTD. (JP) 1990-10-31 EP disclosed