SCHEMBL2227103

SCHEMBL2227103

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)C2O)OP(=O)(OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)C(O)C1O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.78
P2RY2 P41231 4/20 0.78
P2RX1 P51575 4/20 0.78
P2RX3 P56373 4/20 0.78
SRC P12931 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
P2RX2 Q9UBL9 2/20 0.78
ALDH1A1 P00352 2/20 0.78
P2RX4 Q99571 1/20 0.78
TRPM2 O94759 2/20 0.78
TAS1R3 Q7RTX0 2/20 0.78
TAS1R1 Q7RTX1 2/20 0.78
DNPH1 O43598 1/20 0.78
PRKAB2 O43741 1/20 0.78
LDHA P00338 1/20 0.78
ADRB2 P07550 1/20 0.78
FBP1 P09467 1/20 0.78
ADORA1 P30542 1/20 0.78
PRKAG1 P54619 1/20 0.78
PRKAA2 P54646 1/20 0.78

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
SCHEMBL27962220 0.99 P2RY1 (0.80) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL28223306 0.97 P2RY1 (0.79) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL27817939 0.97 P2RY1 (0.82) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL5838786 0.97 P2RY1 (0.82) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL3792441 0.97 P2RY1 (0.82) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL459997 0.96 P2RY1 (0.84) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL2321068 0.96 P2RY1 (0.81) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL1746647 0.96 P2RY1 (0.84) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL459771 0.96 P2RY1 (0.84) P2RY1P2RY2P2RX1P2RX3SRC
SCHEMBL28210249 0.96 P2RY1 (0.81) P2RY1P2RY2P2RX1P2RX3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107505422-B Method for separating and detecting five compounds of adenosine triphosphate, adenosine diphosphate, adenosine monophosphate, adenosine and deoxynucleotide at one time 浙江省农药检定管理所 2021-03-12 CN disclosed
WO-2011091299-A1 COMPOSITION FOR PERINATAL AND NEONATAL STROKE ADDIS PAUL BRADLEY (US) 2011-07-28 WO disclosed
US-4609444-A CARRIER POLYMER BEADS FLOATING ON WATER SOLARCHEM CORPORATION (CA) 1986-09-02 US disclosed
EP-0147399-A1 PHOTOCHEMICAL REACTIONS FOR COMMERCIAL SYNTHESIS. GUILLET JAMES EDWIN 1985-07-10 EP disclosed
US-4525255-A Photochemical reactions for commercial synthesis GUILLET JAMES E (CA) 1985-06-25 US disclosed
WO-1984001944-A1 PHOTOCHEMICAL REACTIONS FOR COMMERCIAL SYNTHESIS HIRONS ROBERT GORDON (CA) 1984-05-24 WO disclosed