SCHEMBL8325770

SCHEMBL8325770

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.85
▸ DNPH1 O43598 1/20 0.65
▸ PRKAB2 O43741 1/20 0.65
▸ TRPM2 O94759 1/20 0.65
▸ LDHA P00338 1/20 0.65
▸ ADRB2 P07550 1/20 0.65
▸ FBP1 P09467 1/20 0.65
▸ SRC P12931 1/20 0.65
▸ P2RY2 P41231 1/20 0.65
▸ P2RY1 P47900 1/20 0.65
▸ PRKAG1 P54619 1/20 0.65
▸ PRKAA2 P54646 1/20 0.65
▸ PDE4D Q08499 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ PRKAA1 Q13131 1/20 0.65
▸ PDE3A Q14432 1/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ TAS1R3 Q7RTX0 1/20 0.65
▸ TAS1R1 Q7RTX1 1/20 0.65
▸ P2RY11 Q96G91 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
SCHEMBL31598497 0.94 ADORA1 (0.76) ADORA1P2RY2RNASEL
SCHEMBL2217172 0.94 ADORA1 (0.79) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL17438017 0.94 ADORA1 (0.79) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL888085 0.94 ADORA1 (0.79) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL31048803 0.94 ADORA1 (0.79) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL23149827 0.94 ADORA1 (0.79) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL29384615 0.94 ADORA1 (0.79) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL17346493 0.93 ADORA1 (0.86) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL146700 0.93 ADORA1 (0.86) ADORA1DNPH1PRKAB2TRPM2LDHA
SCHEMBL18811986 0.93 ADORA1 (0.86) ADORA1DNPH1PRKAB2TRPM2LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962431-A Method of treating papillomavirus using 2',5'-oligoadenylate BUDOWSKY EDWARD I (US) 1999-10-05 — — US disclosed
US-5739013-A Enzymatic synthesis of 2',5'-oligoadenylate-2',3'-cyclophosphates and treatment of papillomaviruses BUDOWSKY EDWARD I (US) 1998-04-14 — — US disclosed
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