SCHEMBL4208216

SCHEMBL4208216

NCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.84
P2RX2 Q9UBL9 5/20 0.84
P2RX4 Q99571 2/20 0.69
NT5E P21589 1/20 0.69
GPR17 Q13304 1/20 0.69
P2RY1 P47900 6/20 0.66
P2RY2 P41231 3/20 0.66
P2RX1 P51575 2/20 0.66
SRC P12931 1/20 0.66
ALDH1A1 P00352 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
P2RY6 Q15077 1/20 0.65
P2RY12 Q9H244 1/20 0.65
RNASEL Q05823 1/20 0.64
MACROD2 A1Z1Q3 1/20 0.62
SIRT6 Q8N6T7 1/20 0.62
MACROD1 Q9BQ69 1/20 0.62
TRPM2 O94759 1/20 0.62
DNPH1 O43598 1/20 0.61

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
SCHEMBL30853828 0.99 P2RX3 (0.82) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL4217929 0.99 P2RX3 (0.82) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL8738522 0.99 P2RX3 (0.82) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL18574267 0.93 P2RX3 (0.78) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL14948867 0.93 P2RX3 (0.78) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL14946381 0.93 P2RX3 (0.78) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL16340735 0.93 P2RX3 (0.78) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL4820076 0.93 P2RX3 (0.71) P2RX3P2RX2P2RX4NT5EP2RY1
SCHEMBL14946188 0.92 P2RX3 (0.76) P2RX3P2RX2P2RX4NT5EGPR17
SCHEMBL216645 0.92 P2RX3 (0.70) P2RX3P2RX2NT5EGPR17P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140170689-A1 Modified Diguanylate Cyclase-Phosphodiesterase and Method for Enzymatic Production of Cyclic-diGMP THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-06-19 US claimed
US-20140170689-A1 Modified Diguanylate Cyclase-Phosphodiesterase and Method for Enzymatic Production of Cyclic-diGMP THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-06-19 US disclosed
US-20090104633-A1 Kit for Highly Sensitive Detection Assays VYZKUMNY USTAV VETERINARNIHO LEKARSTVI (CZ) 2009-04-23 US disclosed
EP-1971864-A2 KIT COMPRISING 2,4-DICHLOROPHENOXYACETIC ACD DERIVATIVES AND ANTIBODIES FOR HIGHLY SENSITIVE DETECTION ASSAYS Forschungszentrum Borstel (DE) 2008-09-24 EP disclosed
WO-2007051603-A2 KIT COMPRISING 2, 4- DICHLOROPHENOXYACETIC ACD DERIVATIVES AND ANTIBODIES FOR HIGHLY SENSITIVE DETECTION ASSAYS FORSCHUNGSZENTRUM BORSTEL (DE) 2007-05-10 WO disclosed