Bicarbonate

Bicarbonate

SCHEMBL27976205

CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.O=C(O)O

nearest known ligand 0.64

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
CES2 O00748 2/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
THRB P10828 1/20 0.62
HTT P42858 1/20 0.62
MAPT P10636 1/20 0.62
NAAA Q02083 1/20 0.54
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50

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 SCHEMBL15512279 1.00 CES2 (0.64) CES2MEN1KMT2ATHRBHTT
Bicarbonate SCHEMBL8198778 1.00 CES2 (0.64) CES2MEN1KMT2ATHRBHTT
Bicarbonate SCHEMBL29081021 0.97 CES2 (0.61) CES2MEN1KMT2ATHRBHTT
Acetic Acid SCHEMBL537713 0.92 CES2 (0.68) CES2MEN1KMT2ATHRBHTT
Acetic Acid SCHEMBL2863329 0.92 CES2 (0.68) CES2MEN1KMT2ATHRBHTT
Acetic Acid SCHEMBL2400937 0.92 CES2 (0.68) CES2MEN1KMT2ATHRBHTT
Acetic Acid SCHEMBL3139068 0.92 CES2 (0.68) CES2MEN1KMT2ATHRBHTT
Acetic Acid SCHEMBL138223 0.92 CES2 (0.68) CES2MEN1KMT2ATHRBHTT
Acetic Acid SCHEMBL4930252 0.92 CES2 (0.68) CES2MEN1KMT2ATHRBHTT
Acetic Acid SCHEMBL3426392 0.92 CES2 (0.68) CES2MEN1KMT2ATHRBHTT

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-104356575-A Preparing method of matte low-temperature plastic alloy QINGDAO TONGSHENGTONG RUBBER & PLASTIC CO LTD 2015-02-18 CN disclosed