Bicarbonate

Bicarbonate

SCHEMBL7082015

C=CCCCC(C)=CC.O=C(O)O

nearest known ligand 0.48

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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 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ABCC4 O15439 1/20 0.48
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 2/20 0.37
CNR1 P21554 1/20 0.35
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
FAAH O00519 2/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL381925 0.91
SCHEMBL381924 0.91
SCHEMBL847380 0.84 MAPT (0.48) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL847381 0.84 MAPT (0.48) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL7647084 0.82 MAPT (0.52) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL7644378 0.82 MAPT (0.52) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL7648294 0.82 MAPT (0.52) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL7648296 0.82 MAPT (0.52) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL7647100 0.82 MAPT (0.52) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL7644371 0.82 MAPT (0.52) MAPTABCC4ALDH1A1LMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328498-A1 METHOD FOR THE CATALYTIC DECOMPOSITION OF LACTONES BASF AKTIENGESELLSCHAFT (DE) 2003-07-23 EP disclosed
EP-1328498-A1 METHOD FOR THE CATALYTIC DECOMPOSITION OF LACTONES BASF AKTIENGESELLSCHAFT (DE) 2003-07-23 EP disclosed
WO-2002016301-A1 METHOD FOR THE CATALYTIC DECOMPOSITION OF LACTONES BASF AKTIENGESELLSCHAFT (DE) 2002-02-28 WO disclosed
WO-2002016301-A1 METHOD FOR THE CATALYTIC DECOMPOSITION OF LACTONES BASF AKTIENGESELLSCHAFT (DE) 2002-02-28 WO disclosed
EP-0337083-A2 Process for the preparation of esters of omega enoic acids HÜLS AKTIENGESELLSCHAFT (DE) 1989-10-18 EP disclosed
EP-0043038-B1 PROCESS FOR PREPARING MIXTURES OF UNSATURATED C9 CARBOXYLIC ACIDS EC ERDÖLCHEMIE GMBH (DE) 1983-06-22 EP disclosed
EP-0043038-A1 Process for preparing mixtures of unsaturated C9 carboxylic acids EC ERDÖLCHEMIE GMBH (DE) 1982-01-06 EP disclosed