Bicarbonate

Bicarbonate

SCHEMBL980934

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

nearest known ligand 0.46

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 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
FFAR3 O14843 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL10344061 0.74 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL10344060 0.74 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL3766034 0.73 TSHR (0.39) ALDH1A1TSHRHPGD
SCHEMBL3229730 0.73 ALDH1A1 (0.44) ALDH1A1TSHRFFAR3LMNAHPGD
SCHEMBL3766031 0.73 TSHR (0.39) ALDH1A1TSHRHPGD
SCHEMBL9174262 0.71 ALDH1A1 (0.42) ALDH1A1TSHRFFAR3LMNATDP1
Propionic Acid SCHEMBL27683338 0.70 FFAR3 (0.59) ALDH1A1TSHRFFAR3LMNAHPGD
Bicarbonate SCHEMBL982714 0.69 TSHR (0.50) ALDH1A1TSHRFFAR3LMNAHPGD
SCHEMBL23615907 0.69 ALDH1A1 (0.39) ALDH1A1TSHRFFAR3LMNA
Acrylic Acid SCHEMBL30150339 0.67 FFAR3 (0.62) ALDH1A1TSHRFFAR3LMNAHPGD

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
EP-1892789-B1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEM CORP (JP) 2018-02-28 EP disclosed
US-20110014504-A1 LITHIUM SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2011-01-20 US disclosed
US-20080311478-A1 Lithium Secondary Battery MITSUBISHI CHEMICAL CORPORATION (JP) 2008-12-18 US disclosed
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed