Bicarbonate

Bicarbonate

SCHEMBL1988293

O=C(O)O.OCC(O)C(O)OCc1ccccc1

nearest known ligand 0.47

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
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL9725057 0.84 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4412609 0.84 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4409728 0.82 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL4411610 0.82 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27865431 0.81 TDP1 (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL23279577 0.79 TRPA1 (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7159471 0.79 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL14021052 0.79 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL10439884 0.78 SLC1A2 (0.59) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL5269098 0.78 SLC1A2 (0.59) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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
US-20130195954-A1 FILMS AND PARTICLES THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2013-08-01 US disclosed
US-8338492-B2 Films and particles THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-12-25 US disclosed
US-8334324-B2 Films and particles THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-12-18 US disclosed
US-20120107365-A1 FILMS AND PARTICLES THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2012-05-03 US disclosed
US-20110152305-A1 FILMS AND PARTICLES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-06-23 US disclosed
US-7671095-B2 Films and particles THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2010-03-02 US disclosed
EP-2032623-A2 FILMS AND PARTICLES The Trustees of the Boston University (US) 2009-03-11 EP disclosed
US-20080075718-A1 Films and Particles THE TRUSTEES OF THE BOSTON UNIVERSITY 2008-03-27 US disclosed
WO-2007140483-A2 FILMS AND PARTICLES THE TRUSTEES OF THE BOSTON UNIVERSITY (US) 2007-12-06 WO 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-20110152305-A1 FILMS AND PARTICLES APOB, PGF, ACTB SLC1A3 4811/4885SLC1A2 4867/4885SLC1A1 4813/4885
US-20130195954-A1 FILMS AND PARTICLES APOB, PGF, ACTB SLC1A3 4811/4885SLC1A2 4867/4885SLC1A1 4813/4885
US-20080075718-A1 Films and Particles APOB, PGF, ACTB SLC1A3 4811/4885SLC1A2 4867/4885SLC1A1 4813/4885
US-20120107365-A1 FILMS AND PARTICLES APOB, PGF, ACTB SLC1A3 4811/4885SLC1A2 4867/4885SLC1A1 4813/4885

“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.