Bicarbonate

Bicarbonate

SCHEMBL513377

Cc1nn(C)c(=O)cc1O.O=C(O)O

nearest known ligand 0.41

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
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.36
BRD4 O60885 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PTGS1 P23219 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35
SPR P35270 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2C P28335 1/20 0.34
CREBBP Q92793 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL391398 0.94 ADORA2A (0.39) ALDH1A1BRD4PIM3PIM2ADORA2A
SCHEMBL12021767 0.77 ALDH1A1 (0.55) ALDH1A1GAABRD4PTGS1KDM4E
SCHEMBL20157289 0.73 MAPT (0.41) ALDH1A1BRD4ADORA2AADORA2BKDM4E
SCHEMBL513376 0.70 KDM4E (0.35) BRD4PIM3PIM2PTGS1ADORA2A
SCHEMBL394010 0.69 MAPT (0.40) BRD4ADORA2AADORA2BLMNAL3MBTL1
SCHEMBL24376356 0.69 MAPK8 (0.37) ALDH1A1GAABRD4PTGS1KDM4E
SCHEMBL15859526 0.69 ALDH1A1 (0.41) ALDH1A1BRD4PTGS1KDM4EHPGD
SCHEMBL7792914 0.69 ALDH1A1 (0.57) ALDH1A1GAAKDM4EHSD17B10KMT2A
SCHEMBL3614856 0.68 HTR3A (0.51) ALDH1A1GAABRD4KDM4EKMT2A
SCHEMBL21093429 0.67 LMNA (0.44) ALDH1A1GAAADORA2AADORA2BKDM4E

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 ALDH1A1 1293/4885GAA 2987/4885BRD4 3219/4885

“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.