SCHEMBL28162353

SCHEMBL28162353

O=P(O)(O)C(O)([C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.47
▸ P2RY2 P41231 4/20 0.47
▸ SRC P12931 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ DNPH1 O43598 2/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ TRPM2 O94759 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ FBP1 P09467 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ P2RY11 Q96G91 1/20 0.47

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
Inosine SCHEMBL5365023 0.78 SLC29A1 (0.67) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Inosine SCHEMBL29898199 0.78 SLC29A1 (0.67) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Phosphoric Acid SCHEMBL27939253 0.78 AHCY (0.69) ADORA1AHCYADORA3HSP90B1HIF1A
Inosine SCHEMBL27486904 0.78 SLC29A1 (0.67) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Inosine SCHEMBL29941344 0.78 SLC29A1 (0.67) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Inosine SCHEMBL1331735 0.78 SLC29A1 (0.67) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Inosine SCHEMBL17824478 0.78 SLC29A1 (0.67) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Inosine SCHEMBL161317 0.78 SLC29A1 (0.67) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL28616466 0.77 P2RY2 (0.58) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Inosine SCHEMBL19436352 0.77 ADORA1 (0.66) P2RY1P2RY2SRCSMN1; SMN2DNPH1

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-106998771-A Flavour composition and pet food comprising same 马斯公司 2017-08-01 — — CN disclosed
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