Bicarbonate

Bicarbonate

SCHEMBL513277

CCc1c(O)c(C)nn(C)c1=O.O=C(O)O

nearest known ligand 0.37

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
GSK3A known ✓ P49840 1/20 0.31
GSK3B known ✓ P49841 1/20 0.31
CDK8 P49336 2/20 0.37
ACVR1 Q04771 1/20 0.37
KDM5A P29375 1/20 0.36
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CASR P41180 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CSF1R P07333 1/20 0.31
FGFR1 P11362 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
SCHEMBL514106 0.73 KDM4E (0.35) CDK8ACVR1KDM4E
SCHEMBL18131563 0.70 CDK8 (0.34) CDK8ACVR1KDM5ACASRALDH1A1
SCHEMBL513375 0.69 CDK8 (0.34) CDK8ACVR1GAAKDM4EALDH1A1
SCHEMBL512973 0.68 CASR (0.33) CDK8ACVR1CASR
SCHEMBL513333 0.68 KDM4E (0.31) CDK8ACVR1GAAKDM4EALDH1A1
SCHEMBL514980 0.68 PDE4A (0.31) CDK8ACVR1PDE4APDE4BPDE4C
SCHEMBL23402164 0.67 KDM4E (0.33) GAAKDM4ESMN1; SMN2LMNA
SCHEMBL510530 0.67 MAPK8 (0.36) CDK8ACVR1GAAKDM4ESMN1; SMN2
SCHEMBL1889853 0.66 L3MBTL1 (0.43) CDK8ACVR1GAAKDM4EALDH1A1
SCHEMBL8854253 0.66 L3MBTL1 (0.38) GAAKDM4EALDH1A1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US 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-20120028988-A1 USE OF PYRIDAZINONE COMPOUND FOR CONTROL OF HARMFUL ARTHROPOD PESTS PLPBP, PNPO, PIR GSK3A 3986/4885GSK3B 3543/4885CDK8 3755/4885

“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.