SCHEMBL28616466

SCHEMBL28616466

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 4/20 0.58
▸ P2RY1 P47900 6/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ DNPH1 O43598 3/20 0.57
▸ SRC P12931 2/20 0.57
▸ ADORA1 P30542 2/20 0.57
▸ PRKAB2 O43741 1/20 0.57
▸ TRPM2 O94759 1/20 0.57
▸ LDHA P00338 1/20 0.57
▸ ADRB2 P07550 1/20 0.57
▸ FBP1 P09467 1/20 0.57
▸ PRKAG1 P54619 1/20 0.57
▸ PRKAA2 P54646 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ PRKAA1 Q13131 1/20 0.57
▸ PDE3A Q14432 1/20 0.57
▸ TAS1R3 Q7RTX0 1/20 0.57
▸ TAS1R1 Q7RTX1 1/20 0.57
▸ P2RY11 Q96G91 1/20 0.57

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 SCHEMBL19436352 0.89 ADORA1 (0.66) P2RY2P2RY1SMN1; SMN2DNPH1SRC
Inosine SCHEMBL29898199 0.87 SLC29A1 (0.67) P2RY2P2RY1SMN1; SMN2DNPH1SRC
Inosine SCHEMBL161317 0.87 SLC29A1 (0.67) P2RY2P2RY1SMN1; SMN2DNPH1SRC
Inosine SCHEMBL27486904 0.87 SLC29A1 (0.67) P2RY2P2RY1SMN1; SMN2DNPH1SRC
Inosine SCHEMBL29941344 0.87 SLC29A1 (0.67) P2RY2P2RY1SMN1; SMN2DNPH1SRC
Inosine SCHEMBL5365023 0.87 SLC29A1 (0.67) P2RY2P2RY1SMN1; SMN2DNPH1SRC
Inosine SCHEMBL17824478 0.87 SLC29A1 (0.67) P2RY2P2RY1SMN1; SMN2DNPH1SRC
Inosine SCHEMBL1331735 0.87 SLC29A1 (0.67) P2RY2P2RY1SMN1; SMN2DNPH1SRC
SCHEMBL18411393 0.86 P2RY2 (0.58) P2RY2P2RY1SMN1; SMN2DNPH1SRC
Inosine SCHEMBL10622941 0.86 SLC29A1 (0.66) P2RY2P2RY1SMN1; SMN2DNPH1SRC

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-113195003-A Drug delivery system using solution 国立大学法人京都大学 2021-07-30 — — CN disclosed
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