Bicarbonate

Bicarbonate

SCHEMBL15057748

N=C(N)Nc1cccc(Cl)c1.O=C(O)O

nearest known ligand 0.62

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
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 2/20 0.62
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
GAA P10253 1/20 0.60
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
HTR3A P46098 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
HSD17B10 Q99714 1/20 0.55
F13A1 P00488 1/20 0.54
TGM2 P21980 1/20 0.54
FADS1 O60427 1/20 0.53
KDM4E B2RXH2 1/20 0.52
IDO1 P14902 1/20 0.51

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
SCHEMBL1184744 0.93 HTR3E (0.61) MEN1KMT2AMAPTLMNAHTT
Hydrochloric Acid SCHEMBL3612283 0.91 HTR3E (0.59) MEN1KMT2AMAPTLMNAHTT
Nitric Acid SCHEMBL2862594 0.85 MAPT (0.53) MEN1KMT2AMAPTLMNAHTT
Nitric Acid SCHEMBL7234512 0.85 MAPT (0.53) MEN1KMT2AMAPTLMNAHTT
SCHEMBL167193 0.82 MEN1 (0.71) MEN1KMT2AMAPTLMNAHTT
Ammonia Solution, Strong SCHEMBL28790660 0.80 MEN1 (0.69) MEN1KMT2AMAPTLMNAHTT
SCHEMBL4108214 0.80 MEN1 (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2094553 0.80 MEN1 (0.74) MEN1KMT2AMAPTLMNAHTT
SCHEMBL1884170 0.80 MEN1 (0.74) MEN1KMT2AMAPTLMNAHTT
SCHEMBL1229884 0.79 HTR3E (0.54) MEN1KMT2AMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013092460-A1 CYCLIC BISOXIME MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
CN-1446048-A N-phenyl-4- (4-pyridyl) -2-pyrimidinamine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2003-10-01 CN disclosed