Dda-Triphosphate

Dda-Triphosphate

SCHEMBL23978346

Nc1ncnc2c1ncn2C1CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.63
P2RX1 P51575 4/20 0.63
P2RX2 Q9UBL9 3/20 0.63
P2RX4 Q99571 6/20 0.60
P2RY1 P47900 4/20 0.60
P2RY2 P41231 2/20 0.60
SRC P12931 1/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RNASEL Q05823 1/20 0.59
POLB P06746 1/20 0.57
MACROD2 A1Z1Q3 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
MACROD1 Q9BQ69 1/20 0.57
TRPM2 O94759 1/20 0.57
P2RX7 Q99572 1/20 0.56

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
SCHEMBL8630966 1.00 P2RX3 (0.63) P2RX3P2RX1P2RX2P2RX4P2RY1
Dda-Triphosphate SCHEMBL79815 1.00 P2RX3 (0.63) P2RX3P2RX1P2RX2P2RX4P2RY1
Dda-Triphosphate SCHEMBL12932305 1.00 P2RX3 (0.63) P2RX3P2RX1P2RX2P2RX4P2RY1
Dda-Triphosphate SCHEMBL30301198 1.00 P2RX3 (0.63) P2RX3P2RX1P2RX2P2RX4P2RY1
Dda-Triphosphate SCHEMBL30586994 1.00 P2RX3 (0.63) P2RX3P2RX1P2RX2P2RX4P2RY1
Dda-Triphosphate SCHEMBL24767736 1.00 P2RX3 (0.63) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL23978230 0.99 P2RX3 (0.61) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL31229395 0.99 P2RX3 (0.61) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL4969963 0.99 P2RX3 (0.61) P2RX3P2RX1P2RX2P2RX4P2RY1
SCHEMBL12212887 0.93 P2RY1 (0.59) P2RX3P2RX1P2RX2P2RX4P2RY1

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
WO-2021219463-A1 ENZYME CASCADES BASED ON SUCROSE SYNTHASE AND PYROPHOSPHORYLASE FOR CONVERSION OF ADP TO ATP RHEINISCH-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2021-11-04 WO disclosed