SCHEMBL29134096

SCHEMBL29134096

O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.[NaH].[NaH].[NaH]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.74
P2RX3 P56373 6/20 0.74
P2RX2 Q9UBL9 6/20 0.74
P2RY2 P41231 3/20 0.74
P2RX4 Q99571 2/20 0.74
P2RX1 P51575 2/20 0.74
SRC P12931 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
ALDH1A1 P00352 1/20 0.74
RNASEL Q05823 1/20 0.73
TRPM2 O94759 2/20 0.69
MACROD2 A1Z1Q3 1/20 0.69
SIRT6 Q8N6T7 1/20 0.69
MACROD1 Q9BQ69 1/20 0.69
GPR17 Q13304 1/20 0.69
DNPH1 O43598 1/20 0.65
PRKAB2 O43741 1/20 0.65
LDHA P00338 1/20 0.65
ADRB2 P07550 1/20 0.65
FBP1 P09467 1/20 0.65

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
SCHEMBL28009685 1.00 P2RY1 (0.74) P2RY1P2RX3P2RX2P2RY2P2RX4
SCHEMBL27837591 1.00 P2RY1 (0.74) P2RY1P2RX3P2RX2P2RY2P2RX4
SCHEMBL29908846 0.99 P2RY1 (0.75) P2RY1P2RX3P2RX2P2RY2P2RX4
SCHEMBL5365040 0.99 P2RY1 (0.75) P2RY1P2RX3P2RX2P2RY2P2RX4
SCHEMBL163282 0.99 P2RY1 (0.75) P2RY1P2RX3P2RX2P2RY2P2RX4
SCHEMBL163281 0.99 P2RY1 (0.75) P2RY1P2RX3P2RX2P2RY2P2RX4
SCHEMBL1331745 0.99 P2RY1 (0.75) P2RY1P2RX3P2RX2P2RY2P2RX4
SCHEMBL1331755 0.99 P2RY1 (0.75) P2RY1P2RX3P2RX2P2RY2P2RX4
SCHEMBL22635976 0.99 P2RX3 (0.72) P2RY1P2RX3P2RX2P2RY2P2RX4
Pyrophosphoric Acid SCHEMBL27579246 0.98 P2RY1 (0.74) P2RY1P2RX3P2RX2P2RY2P2RX4

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
CN-113784706-B Multi-layered pharmaceutical or nutraceutical solid dosage forms comprising pyrimidine and/or purine derivatives and B vitamins, their preparation and use 菲尔若国际公司 2024-01-05 CN disclosed