Bicarbonate

Bicarbonate

SCHEMBL9815646

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

nearest known ligand 0.33

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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 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
TP53 P04637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HCAR2 Q8TDS4 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
Bicarbonate SCHEMBL6258274 0.86 TP53 (0.39) TSHRSLC1A3SLC1A2SLC1A1TP53
Propene SCHEMBL4290931 0.83 TSHR (0.35) TSHRTP53ALDH1A1
Isobutane SCHEMBL27894360 0.80 LMNA (0.41) TSHRLMNATP53ALDH1A1
Bicarbonate SCHEMBL28800487 0.80 LMNA (0.41) TSHRLMNAALDH1A1HCAR2
Bicarbonate SCHEMBL5134303 0.78 HCAR2 (0.36) TSHRLMNAALDH1A1HCAR2
Isopropyl Alcohol SCHEMBL6154477 0.77 TP53 (0.44) TSHRLMNATP53ALDH1A1
Acetic Acid SCHEMBL10711426 0.77 FFAR3 (0.47) TSHRLMNASLC1A3SLC1A2SLC1A1
Acrylamide SCHEMBL28449014 0.77 TSHR (0.55) TSHRLMNASLC1A3SLC1A2SLC1A1
Bicarbonate SCHEMBL226943 0.76 LMNA (0.50) TSHRLMNATP53ALDH1A1
Bicarbonate SCHEMBL21612732 0.76 LMNA (0.50) TSHRLMNATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039582-A High energy and high power lithium storage batteries, and method for producing the same CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1991-08-13 US disclosed
EP-0009934-B1 MANGANESE DIOXIDE, METHOD FOR ITS MANUFACTURE AND ELECTROCHEMICAL CELL HAVING CATHODE CONTAINING SAID MANGANESE DIOXIDE UNION CARBIDE CORPORATION (US) 1982-11-03 EP disclosed
US-4321314-A Non-aqueous cell safety DURACELL INTERNATIONAL INC. (US) 1982-03-23 US disclosed
US-4312930-A MANGANESE DIOXIDE FROM LITHIUM MANGANATE SPINEL UNION CARBIDE CORPORATION (US) 1982-01-26 US disclosed