SCHEMBL28875944

SCHEMBL28875944

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[PH](=O)O)[C@@H](O)[C@H]1O.[NaH].[NaH]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.73
▸ ADORA1 P30542 3/20 0.73
▸ SMN1; SMN2 Q16637 3/20 0.73
▸ P2RY2 P41231 3/20 0.73
▸ SRC P12931 2/20 0.73
▸ TRPM2 O94759 2/20 0.73
▸ TAS1R3 Q7RTX0 2/20 0.73
▸ TAS1R1 Q7RTX1 2/20 0.73
▸ DNPH1 O43598 1/20 0.73
▸ PRKAB2 O43741 1/20 0.73
▸ LDHA P00338 1/20 0.73
▸ ADRB2 P07550 1/20 0.73
▸ FBP1 P09467 1/20 0.73
▸ PRKAG1 P54619 1/20 0.73
▸ PRKAA2 P54646 1/20 0.73
▸ PDE4D Q08499 1/20 0.73
▸ KCNH2 Q12809 1/20 0.73
▸ PRKAA1 Q13131 1/20 0.73
▸ PDE3A Q14432 1/20 0.73
▸ P2RY11 Q96G91 1/20 0.73

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
SCHEMBL26757883 0.99 P2RY1 (0.74) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL21859148 0.99 P2RY1 (0.74) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL26757874 0.99 P2RY1 (0.74) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL15934403 0.99 P2RY1 (0.74) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL4352332 0.99 P2RY1 (0.74) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL3370651 0.99 P2RY1 (0.74) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL30325578 0.99 P2RY1 (0.74) P2RY1ADORA1SMN1; SMN2P2RY2SRC
Water SCHEMBL28394810 0.98 P2RY1 (0.73) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL28075021 0.92 P2RY1 (0.66) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL5391826 0.91 P2RY1 (0.67) P2RY1ADORA1SMN1; SMN2P2RY2SRC

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-111728903-B Injection and cosmetic composition containing lemon balm extract as active ingredient 林载钐 2022-11-01 — — CN disclosed
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