Bicarbonate

Bicarbonate

SCHEMBL7985678

O=C(O)O.O=C(O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

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
▸ GAA P10253 1/20 0.61
▸ SRD5A2 P31213 2/20 0.57
▸ BCL9 O00512 1/20 0.57
▸ CTNNB1 P35222 1/20 0.57
▸ KMT2A Q03164 4/20 0.56
▸ PKM P14618 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ CES1 P23141 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CES2 O00748 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NPSR1 Q6W5P4 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
SCHEMBL26375 0.98 GAA (0.62) GAASRD5A2BCL9CTNNB1KMT2A
Hydrochloric Acid SCHEMBL7895039 0.96 GAA (0.61) GAASRD5A2BCL9CTNNB1KMT2A
Bromide SCHEMBL30468845 0.96 GAA (0.61) GAASRD5A2BCL9CTNNB1KMT2A
Acetic Acid SCHEMBL28965273 0.92 GAA (0.62) GAASRD5A2BCL9CTNNB1KMT2A
Cyclohexane SCHEMBL30739999 0.92 GAA (0.57) GAASRD5A2BCL9CTNNB1KMT2A
SCHEMBL26654348 0.92 GAA (0.57) GAASRD5A2BCL9CTNNB1KMT2A
Bicarbonate SCHEMBL9330234 0.92 GAA (0.57) GAASRD5A2BCL9CTNNB1KMT2A
SCHEMBL7196972 0.91 GAA (0.60) GAASRD5A2BCL9CTNNB1KMT2A
Ethylene Glycol SCHEMBL5476136 0.91 BCL9 (0.57) GAASRD5A2BCL9CTNNB1KMT2A
SCHEMBL27421509 0.90 ALOX5 (0.60) GAASRD5A2BCL9CTNNB1KMT2A

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 — — US disclosed
Send feedback