Bicarbonate

Bicarbonate

SCHEMBL22462071

CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)C)c1.O=C([O-])[O-].[Na+].[Na+]

nearest known ligand 0.51

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
ALOX5 P09917 4/20 0.47
PTGS2 P35354 4/20 0.47
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
GABBR2 O75899 2/20 0.39
GABBR1 Q9UBS5 2/20 0.39
ERN1 O75460 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
Acetic Acid SCHEMBL27891477 0.92 ALOX5 (0.46) ALOX5PTGS2ALDH1A1MEN1KMT2A
SCHEMBL29467330 0.92 ALOX5 (0.49) ALOX5PTGS2ALDH1A1MEN1KMT2A
SCHEMBL187267 0.92 ALOX5 (0.49) ALOX5PTGS2ALDH1A1MEN1KMT2A
SCHEMBL29467329 0.92 ALOX5 (0.49) ALOX5PTGS2ALDH1A1MEN1KMT2A
Methyl Alcohol SCHEMBL27851080 0.90 ALOX5 (0.48) ALOX5PTGS2ALDH1A1MEN1KMT2A
SCHEMBL31532241 0.90 ALOX5 (0.48) ALOX5PTGS2ALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28559913 0.90 ALOX5 (0.48) ALOX5PTGS2ALDH1A1MEN1KMT2A
SCHEMBL28867677 0.90 ALOX5 (0.48) ALOX5PTGS2ALDH1A1MEN1KMT2A
Bicarbonate SCHEMBL28419320 0.89 ALOX5 (0.51) ALOX5PTGS2ALDH1A1MEN1KMT2A
Ethylene SCHEMBL9319950 0.88 ALOX5 (0.47) ALOX5PTGS2ALDH1A1MEN1KMT2A

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
CN-111316461-B Organic light emitting element 东丽先端材料研究开发(中国)有限公司 2023-01-20 CN disclosed
US-20210175475-A1 ORGANIC LIGHT-EMITTING ELEMENT TORAY INDUSTRIES, INC. (JP) 2021-06-10 US disclosed
EP-3716348-A1 ORGANIC LIGHT-EMITTING ELEMENT Toray Industries, Inc. (JP) 2020-09-30 EP disclosed
CN-111316461-A Organic light emitting element 东丽先端材料研究开发(中国)有限公司 2020-06-19 CN 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-20210175475-A1 ORGANIC LIGHT-EMITTING ELEMENT CLTB, LAGE3, MAP1LC3B ALOX5 2434/4885PTGS2 4424/4885ALDH1A1 1166/4885

“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.