Bicarbonate

Bicarbonate

SCHEMBL7209871

C=CCOCC.O=C(O)O

nearest known ligand 0.40

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
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 1/20 0.35
THRB P10828 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CA9 Q16790 1/20 0.32
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
HPGD P15428 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
Acetic Acid SCHEMBL28173555 0.93 POLB (0.39) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL43219 0.87
Water SCHEMBL27297843 0.84
Water SCHEMBL27992209 0.84 MEN1 (0.46) TSHRALDH1A1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL15310751 0.84
SCHEMBL943794 0.84
Bicarbonate SCHEMBL1206563 0.84 CA1 (0.41) TSHRALDH1A1POLBMEN1KMT2A
Phosphoric Acid SCHEMBL22235227 0.83 POLB (0.39) TSHRALDH1A1POLBMEN1KMT2A
Sulfurous Acid SCHEMBL31496503 0.83 KMT2A (0.39) TSHRALDH1A1POLBMEN1KMT2A
Phosphoric Acid SCHEMBL27616144 0.83 POLB (0.39) TSHRALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11197818-B2 Aqueous emulsions of carbamato-functionalized organopolysiloxanes WACKER CHEMIE AG (DE) 2021-12-14 US disclosed
CN-109152723-B Aqueous emulsions of carbamate-functional organopolysiloxanes 瓦克化学股份公司 2021-11-09 CN disclosed
CN-108779415-B Composition containing carbamate-functional organopolysiloxane and cationic surfactant 瓦克化学股份公司 2021-11-05 CN disclosed
US-10675230-B2 Compositions comprising carbamate functionalized organopolysiloxanes and cationic surfactants WACKER CHEMIE AG (DE) 2020-06-09 US disclosed
US-20190133906-A1 COMPOSITIONS COMPRISING CARBAMATE FUNCTIONALIZED ORGANOPOLYSILOXANES AND CATIONIC SURFACTANTS WACKER CHEMIE AG (DE) 2019-05-09 US disclosed
US-20190133919-A1 AQUEOUS EMULSIONS OF CARBAMATO-FUNCTIONALIZED ORGANOPOLYSILOXANES WACKER CHEMIE AG (DE) 2019-05-09 US disclosed
EP-0893428-B1 A process for preparing dialkyl carbonates NIPPON CATALYTIC CHEM IND (JP) 2003-01-22 EP disclosed
EP-0599287-B1 A process for preparing dialkyl carbonates NIPPON CATALYTIC CHEM IND (JP) 1999-04-07 EP disclosed
EP-0893428-A1 A process for preparing dialkyl carbonates NIPPON SHOKUBAI CO., LTD. (JP) 1999-01-27 EP disclosed
US-5430170-A Esterification of alkalene carbonate with an alcohol in presence of rare earth catalyst NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-04 US disclosed
EP-0599287-A1 A process for preparing dialkyl carbonates NIPPON SHOKUBAI CO., LTD. (JP) 1994-06-01 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 (4 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-10675230-B2 Compositions comprising carbamate functionalized organopolysiloxanes and cationic surfactants C9, CUTA, NISCH TSHR 2275/4885ALDH1A1 3674/4885POLB 1680/4885
US-11197818-B2 Aqueous emulsions of carbamato-functionalized organopolysiloxanes HMBS, CBLB, LIPA TSHR 1117/4885ALDH1A1 2689/4885POLB 13/4885
US-20190133906-A1 COMPOSITIONS COMPRISING CARBAMATE FUNCTIONALIZED ORGANOPOLYSILOXANES AND CATIONIC SURFACTANTS C9, CUTA, NISCH TSHR 2275/4885ALDH1A1 3674/4885POLB 1680/4885
US-20190133919-A1 AQUEOUS EMULSIONS OF CARBAMATO-FUNCTIONALIZED ORGANOPOLYSILOXANES HMBS, CBLB, LIPA TSHR 1117/4885ALDH1A1 2689/4885POLB 13/4885

“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.