Bicarbonate

Bicarbonate

SCHEMBL11025569

O=C(NC1CC1)c1ccccc1.O=C(O)O

nearest known ligand 0.76

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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
NPC1 O15118 4/20 0.76
RAB9A P51151 4/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
SMYD3 Q9H7B4 2/20 0.65
MAPT P10636 1/20 0.59
CARM1 Q86X55 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSK P43235 1/20 0.55
PKM P14618 1/20 0.55
EZH2 Q15910 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55

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
SCHEMBL2230140 0.98 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL124395 0.98 NPC1 (0.79) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27945424 0.96 NPC1 (0.76) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23573216 0.92 NPC1 (0.71) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4694494 0.90 NPC1 (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17627163 0.90 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL161227 0.90 NPC1 (0.72) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2316588 0.90 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12425958 0.89 NPC1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6931601 0.89 NPC1 (0.67) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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-0073391-B1 METAL COMPLEXES OF 1-AMINOCYCLOPROPANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT GROWTH REGULATORS BAYER AG (DE) 1985-03-06 EP disclosed
EP-0073391-A1 Metal complexes of 1-aminocyclopropane-carboxylic acids, process for their preparation and their use as plant growth regulators BAYER AG (DE) 1983-03-09 EP disclosed
EP-0005782-B1 PLANT GROWTH REGULANTS AND COMPOSITIONS CONTAINING THEM, THEIR APPLICATION AND THEIR PREPARATION BAYER AG (DE) 1982-02-24 EP disclosed
EP-0005782-A1 Plant growth regulants and compositions containing them, their application and their preparation BAYER AG (DE) 1979-12-12 EP disclosed