Bicarbonate

Bicarbonate

SCHEMBL7860264

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

nearest known ligand 0.42

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
DGAT1 O75907 1/20 0.42
ELANE P08246 1/20 0.41
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
BTK Q06187 1/20 0.31
CHRM1 P11229 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM3 P20309 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
Bicarbonate SCHEMBL29058151 1.00 DGAT1 (0.42) DGAT1ELANEHDAC6HDAC1HDAC2
Hydrogen Peroxide SCHEMBL28079587 0.97 DGAT1 (0.43) DGAT1ELANEHDAC6HDAC1HDAC2
SCHEMBL29121 0.93 DGAT1 (0.46) DGAT1ELANEHDAC6HDAC1HDAC2
Acetic Acid SCHEMBL28020931 0.90 FFAR3 (0.44) DGAT1ELANEHDAC6HDAC1HDAC2
SCHEMBL27351077 0.90 DGAT1 (0.43) DGAT1ELANEHDAC6HDAC1HDAC2
Methyl Alcohol SCHEMBL28820308 0.90 DGAT1 (0.43) DGAT1ELANEHDAC6HDAC1HDAC2
Ammonia Solution, Strong SCHEMBL9998492 0.90 DGAT1 (0.43) DGAT1ELANEHDAC6HDAC1HDAC2
Fluoride SCHEMBL2692246 0.90 DGAT1 (0.43) DGAT1ELANEHDAC6HDAC1HDAC2
SCHEMBL28114416 0.90 DGAT1 (0.43) DGAT1ELANEHDAC6HDAC1HDAC2
SCHEMBL7860268 0.85 ELANE (0.38) DGAT1ELANEHDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385013-B2 Micro/nano materials, products obtained by covalently modifying surface of micro/nano materials with hydrophilic materials, and method for making same CHONGQING BOLANYING (BLY) BIOTECHNOLOGY CO., LTD. (CN) 2019-08-20 US disclosed
EP-3470443-A1 MICRO/NANOMATERIAL, PRODUCT THEREOF WITH SURFACE COVALENTLY MODIFIED WITH HYDROPHILIC MATERIAL, AND MANUFACTURING METHOD Chongqing Bolanying (BLY) Biotechnology Co., Ltd., China (CN) 2019-04-17 EP disclosed
US-20190077746-A1 MICRO/NANO MATERIALS, PRODUCTS OBTAINED BY COVALENTLY MODIFYING SURFACE OF MICRO/NANO MATERIALS WITH HYDROPHILIC MATERIALS, AND METHOD FOR MAKING SAME CHONGQING BOLANYING (BLY) BIOTECHNOLOGY CO., LTD. (CN) 2019-03-14 US disclosed
EP-0837070-B1 SIALIC ACID DERIVATIVES MITSUBISHI CHEM CORP (JP) 2001-10-31 EP disclosed
US-6288041-B1 Sialic acid derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-11 US disclosed
EP-0837070-A1 SIALIC ACID DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1998-04-22 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 (2 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-20190077746-A1 MICRO/NANO MATERIALS, PRODUCTS OBTAINED BY COVALENTLY MODIFYING SURFACE OF MICRO/NANO MATERIALS WITH HYDROPHILIC MATERIALS, AND METHOD FOR MAKING SAME PHOSPHO1, PTMS, PAM DGAT1 1190/4885ELANE 567/4885HDAC6 1257/4885
US-10385013-B2 Micro/nano materials, products obtained by covalently modifying surface of micro/nano materials with hydrophilic materials, and method for making same PHOSPHO1, PTMS, PAM DGAT1 1190/4885ELANE 567/4885HDAC6 1257/4885

“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.