SCHEMBL939116

SCHEMBL939116

N=c1c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.71
TAS1R1 Q7RTX1 3/20 0.71
DNPH1 O43598 9/20 0.70
PRKAB2 O43741 1/20 0.70
TRPM2 O94759 1/20 0.70
LDHA P00338 1/20 0.70
ADRB2 P07550 1/20 0.70
FBP1 P09467 1/20 0.70
SRC P12931 1/20 0.70
ADORA1 P30542 1/20 0.70
P2RY2 P41231 1/20 0.70
P2RY1 P47900 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA2 P54646 1/20 0.70
PDE4D Q08499 1/20 0.70
KCNH2 Q12809 1/20 0.70
PRKAA1 Q13131 1/20 0.70
PDE3A Q14432 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
P2RY11 Q96G91 1/20 0.70

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
SCHEMBL29511838 1.00 TAS1R3 (0.71) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL29941361 0.93 P2RX3 (0.71) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL29511839 0.93 P2RX3 (0.71) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL14874567 0.93 TAS1R3 (0.67) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL12304459 0.92 TAS1R3 (0.66) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL15248805 0.92 TAS1R3 (0.66) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL15071490 0.92 TAS1R3 (0.66) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL29993168 0.90 TAS1R3 (0.59) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
Adenosine Phosphate SCHEMBL18287224 0.85 DNPH1 (0.68) TAS1R3TAS1R1DNPH1PRKAB2TRPM2
SCHEMBL29729918 0.84 TAS1R3 (0.67) TAS1R3TAS1R1DNPH1PRKAB2TRPM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8494779-B2 Method for screening essential metabolites in growth of microorganisms KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20100143911-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 US claimed
EP-2097743-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS Korea Advanced Institute of Science and Technology (KR) 2009-09-09 EP claimed
WO-2008078911-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-07-03 WO claimed
US-20250037787-A1 CONCENTRATION BOUNDS IN LARGE NETWORKS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-01-30 US disclosed
US-20240350027-A1 Methods and Apparatus for Benchtop Metabolite Profiling in Situ VIBO HEALTH INC (US) 2024-10-24 US disclosed
US-8494779-B2 Method for screening essential metabolites in growth of microorganisms KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-7869957-B2 Methods and systems to identify operational reaction pathways THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-11 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-20100143911-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2097743-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS Korea Advanced Institute of Science and Technology (KR) 2009-09-09 EP disclosed
WO-2008078911-A1 METHOD FOR SCREENING ESSENTIAL METABOLITES IN GROWTH OF MICROORGANISMS KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-07-03 WO disclosed