Bicarbonate

Bicarbonate

SCHEMBL6548895

CC(OOC(C)c1ccccc1)c1ccccc1.O=C(O)O

nearest known ligand 0.53

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 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.53
KMT2A Q03164 1/20 0.48
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
APAF1 O14727 1/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
ALOX5 P09917 2/20 0.44
PTGS1 P23219 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43

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
SCHEMBL464725 0.90 HCAR2 (0.45) HCAR2CYP2D6ALDH1A1LMNA
SCHEMBL27685764 0.83 HCAR2 (0.41) HCAR2CYP2D6ALDH1A1LMNA
SCHEMBL27332949 0.83 ALDH1A1 (0.49) HCAR2KMT2ACYP2D6SRCFFAR1
SCHEMBL28702688 0.83 ALDH1A1 (0.49) HCAR2KMT2ACYP2D6SRCFFAR1
SCHEMBL871942 0.82 HCAR2 (0.59) HCAR2KMT2ACYP2D6SRCFFAR1
SCHEMBL9566873 0.81 HCAR2 (0.44) HCAR2KMT2ACYP2D6FFAR1ALDH1A1
SCHEMBL5431494 0.80 HCAR2 (0.42) HCAR2CYP2D6ALDH1A1LMNAALOX5
SCHEMBL22169 0.80 LMNA (0.57) HCAR2KMT2AALDH1A1CYP3A4APAF1
SCHEMBL3786370 0.79 HCAR2 (0.61) HCAR2KMT2ACYP2D6SRCFFAR1
SCHEMBL3625234 0.79 HCAR2 (0.61) HCAR2KMT2ACYP2D6SRCFFAR1

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-0909767-B1 Packing and distillation methods for inhibiting polymerization of vinyl compound MITSUBISHI GAS CHEMICAL CO (JP) 2004-02-04 EP disclosed
US-6239199-B1 DISTILLATION TOWER CONTAINING PACKING; POLYOLEFIN, A FLUORORESIN, A POLYESTER, A POLYAMIDE, A POLYCARBONATE AND A POLYETHER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2001-05-29 US disclosed
EP-0909767-A1 Resin composition and distillation methods for inhibiting polymerization of vinyl compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-04-21 EP disclosed
EP-0380662-B1 METHOD OF MANUFACTURING DRAW-FORMED CONTAINER TOYO SEIKAN KAISHA LTD (JP) 1994-09-07 EP disclosed
US-5048317-A Method of manufacturing draw-formed container TOYO SEIKAN KAISHA LTD. (JP) 1991-09-17 US disclosed
EP-0380662-A1 METHOD OF MANUFACTURING DRAW-FORMED CONTAINER TOYO SEIKAN KAISHA, LTD. (JP) 1990-08-08 EP disclosed
US-4877662-A MULTILAYER ETHYLENE-VINYL ALCOHOL AND PROPYLENE OR CARBONYL-CONTAINING THERMOPLASTIC RESIN AND HYDROXIDE, OXIDE, SILICATE, OR ACID SALT STABILIZER TOYO SEIKAN KAISHA, LTD. (JP) 1989-10-31 US disclosed
US-4387830-A Side seam-coated tinplate welded can TOYO SEIKAN KAISHA, LTD. (JP) 1983-06-14 US disclosed
US-4384657-A CHROMIUM AND CHROMIUM OXIDE LAYERS, MAGNETITE, COATING OF RESIN WITH POLAR GROUP TOYO SEIKAN KAISHA LTD. (JP) 1983-05-24 US disclosed