Bicarbonate

Bicarbonate

SCHEMBL28045388

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

nearest known ligand 0.32

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 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL63735 0.96 TSHR (0.33) TSHRALDH1A1TP53CYP3A4MAPK1
Acrylic Acid SCHEMBL28501960 0.95 LMNA (0.33) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL28372269 0.93 TSHR (0.32) TSHRALDH1A1TP53CYP3A4MAPK1
Methane SCHEMBL28321630 0.93 TSHR (0.32) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL28958929 0.90 TSHR (0.30) TSHR
SCHEMBL31285604 0.87
SCHEMBL31155812 0.85 TSHR (0.30) TSHR
Acrylic Acid SCHEMBL28725990 0.84 TSHR (0.50) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL29006648 0.81 TSHR (0.58) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL3132072 0.81 ALDH1A1 (0.35) TSHRALDH1A1TP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105131197-A Preparation method of polycarbonate photodiffusion material ZHEJIANG QUZHOU WANNENGDA TECHNOLOGY CO LTD 2015-12-09 CN disclosed