Bicarbonate

Bicarbonate

SCHEMBL7685602

C=CC(C)C.C=CC(C)C.O=C(O)O.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
LMNA P02545 1/20 0.41
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BLM P54132 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIK1 P39086 2/20 0.34
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 0.34
GRIK3 Q13003 2/20 0.34

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 SCHEMBL9619202 1.00
Bicarbonate SCHEMBL8018961 1.00 LMNA (0.41) LMNATSHRALDH1A1TP53CA1
Acetic Acid SCHEMBL28925246 0.90
Bicarbonate SCHEMBL14053443 0.83 LMNA (0.39) LMNATSHRALDH1A1TP53CA1
Urea SCHEMBL9579184 0.83
Bicarbonate SCHEMBL9202821 0.83
SCHEMBL10794029 0.80
SCHEMBL20151 0.80
Bicarbonate SCHEMBL28731859 0.80
Bicarbonate SCHEMBL17581395 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764628-B1 Diesters of pyrocarbonic acid, their preparation and their use CIBA SC HOLDING AG (CH) 2001-03-14 EP claimed
US-5750758-A DEHYDRATION OF CARBONIC ACID CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-05-12 US claimed
EP-3233868-B1 6H-PYRROLO[3,2-B:4,5-B']BIS[1,4]BENZOTHIAZINE-6-CARBOXYLIC ACID ESTERS AS ORGANIC SEMICONDUCTOR MATERIALS FOR USE IN ELECTRONIC DEVICES BASF SE (DE) 2018-11-07 EP disclosed
US-10079346-B2 Heteroaromatic compounds for organic electronics BASF SE (DE) 2018-09-18 US disclosed
US-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS BASF SE (DE) 2017-12-21 US disclosed
US-6359122-B1 Pyrocarbonic acid diesters and the preparation and use thereof CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-19 US disclosed
US-6222047-B1 PIGMENT PRECURSORS CIBA SPECIALTY CHEMICALS CORPORATION 2001-04-24 US disclosed
US-6063924-A N-(ALKENYL OR ALKYNYL)OXYCARBONYL SUBSTITUTED CHROMOPHORE DERIVATIVES; SOLUBLE ORGANIC PIGMENTS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-16 US disclosed
US-5750758-A DEHYDRATION OF CARBONIC ACID CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-05-12 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 (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-10079346-B2 Heteroaromatic compounds for organic electronics OR10J3, OR51E2, OXER1 LMNA 3332/4885TSHR 2680/4885ALDH1A1 1250/4885
US-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS OR10J3, NR0B1, NR0B2 LMNA 2964/4885TSHR 2401/4885ALDH1A1 1283/4885

“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.