Bicarbonate

Bicarbonate

SCHEMBL5163319

O=C([O-])[O-].O=C([O-])[O-].[K+].[K+].[O-2].[Zr+4]

nearest known ligand 0.55

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 16)

geneUniProtsupporting neighboursconfidence
CA4 P22748 5/20 0.55
FAHD1 Q6P587 1/20 0.55
MEN1 O00255 1/20 0.43
LDHA P00338 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 3/20 0.42
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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 SCHEMBL149204 0.94 CA4 (0.60) CA4FAHD1MEN1LDHABLM
Bicarbonate SCHEMBL3448251 0.94 CA4 (0.60) CA4FAHD1MEN1LDHABLM
Bicarbonate SCHEMBL29764190 0.94
Bicarbonate SCHEMBL29441981 0.94
Bicarbonate SCHEMBL31749485 0.94
Oxalic Acid SCHEMBL3865605 0.89
Bicarbonate SCHEMBL5160175 0.89 CA4 (0.42) CA4FAHD1MEN1LDHABLM
Bicarbonate SCHEMBL30932406 0.89
Bicarbonate SCHEMBL5159853 0.89 CA4 (0.55) CA4FAHD1MEN1LDHABLM
Bicarbonate SCHEMBL2749140 0.89 CA4 (0.55) CA4FAHD1MEN1LDHABLM

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-1162189-B1 Process for producing 2-vinylcyclododecanone. TAKASAGO PERFUMERY CO LTD (JP) 2007-02-28 EP disclosed
US-6548711-B2 Heating 2-ethylidenecyclododecanone in the presence of a catalyst to establish an isomeration equilibrium state between said Z-isomer, E-isomer and 2- vinylcyclodecanone and separating the 2-vinylcyclododecanone by fractionation TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-04-15 US disclosed
US-20020038056-A1 Process for producing 2-vinylcyclododecanone TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-03-28 US disclosed
EP-1162189-A2 Process for producing 2-vinylcyclododecanone. Takasago International Corporation (JP) 2001-12-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020038056-A1 Process for producing 2-vinylcyclododecanone CYP4A22, CCNY, CYP2J2 CA4 1785/4885FAHD1 2314/4885MEN1 2325/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.