Bicarbonate

Bicarbonate

SCHEMBL4654852

C=C(CC=Cc1ccccc1)C(=O)O.O=C(O)O

nearest known ligand 0.63

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
PAM P19021 2/20 0.63
MAOB P27338 4/20 0.53
HAO1 Q9UJM8 1/20 0.44
HDAC1 Q13547 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
TNKS O95271 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PLIN1 O60240 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL16463 0.98 PAM (0.66) PAMMAOBHAO1HDAC1ALDH1A1
Benzene SCHEMBL27612926 0.98 PAM (0.66) PAMMAOBHAO1HDAC1ALDH1A1
SCHEMBL278485 0.98 PAM (0.66) PAMMAOBHAO1HDAC1ALDH1A1
Ethylene SCHEMBL28169506 0.96 PAM (0.63) PAMMAOBHAO1HDAC1ALDH1A1
Butadiene SCHEMBL5146753 0.93 PAM (0.59) PAMMAOBHAO1HDAC1ALDH1A1
SCHEMBL28857182 0.93 PAM (0.59) PAMMAOBHAO1HDAC1ALDH1A1
Maleic Acid SCHEMBL8841066 0.91 PAM (0.58) PAMMAOBHAO1HDAC1ALDH1A1
Dimethylamine SCHEMBL29567163 0.91 PAM (0.58) PAMMAOBHAO1HDAC1ALDH1A1
Methacrylic Acid SCHEMBL5875035 0.91 PAM (0.58) PAMMAOBHAO1HDAC1ALDH1A1
Acrylic Acid SCHEMBL448097 0.91 PAM (0.58) PAMMAOBHAO1HDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836936-B1 covering structure DAINIPPON PRINTING CO LTD (JP) 2008-11-19 EP disclosed
EP-1658971-B1 Laminated structure DAINIPPON PRINTING CO LTD (JP) 2007-12-26 EP disclosed
EP-1658971-A1 Laminated structure Dai Nippon Printing Co., Ltd. (JP) 2006-05-24 EP disclosed
US-6218017-B1 A LAMINATED STRUCTURE CONTAINING A HEAT SEALANT LAYER, AN ANTISTATIC LAYER OF A BISAMMONIUM ORGANIC SULFUR SEMICONDUCTOR FORMED ON ONE SURFACE OF HEAT SEALANT LAYER, AN ORIENTED RESIN LAYER DAI NIPPON PRINTING CO., LTD. (JP) 2001-04-17 US disclosed