SCHEMBL20277494

SCHEMBL20277494

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c2ncn2ccnc32)C(O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 3/20 1.00
▸ TAS1R1 Q7RTX1 3/20 1.00
▸ P2RX3 P56373 1/20 0.84
▸ P2RX2 Q9UBL9 1/20 0.84
▸ DNPH1 O43598 9/20 0.66
▸ PRKAB2 O43741 1/20 0.66
▸ TRPM2 O94759 1/20 0.66
▸ LDHA P00338 1/20 0.66
▸ ADRB2 P07550 1/20 0.66
▸ FBP1 P09467 1/20 0.66
▸ SRC P12931 1/20 0.66
▸ ADORA1 P30542 1/20 0.66
▸ P2RY2 P41231 1/20 0.66
▸ P2RY1 P47900 1/20 0.66
▸ PRKAG1 P54619 1/20 0.66
▸ PRKAA2 P54646 1/20 0.66
▸ PDE4D Q08499 1/20 0.66
▸ KCNH2 Q12809 1/20 0.66
▸ PRKAA1 Q13131 1/20 0.66
▸ PDE3A Q14432 1/20 0.66

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
SCHEMBL20266301 1.00 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2DNPH1
SCHEMBL20282630 1.00 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2DNPH1
SCHEMBL20277542 1.00 TAS1R3 (1.00) TAS1R3TAS1R1P2RX3P2RX2DNPH1
SCHEMBL30969959 0.99 TAS1R3 (0.98) TAS1R3TAS1R1P2RX3P2RX2DNPH1
SCHEMBL29395130 0.92 P2RX3 (0.98) TAS1R3TAS1R1P2RX3P2RX2TRPM2
SCHEMBL10021603 0.91 P2RX3 (1.00) TAS1R3TAS1R1P2RX3P2RX2TRPM2
SCHEMBL29601540 0.91 P2RX3 (1.00) TAS1R3TAS1R1P2RX3P2RX2TRPM2
SCHEMBL840111 0.89 P2RX3 (0.88) TAS1R3TAS1R1P2RX3P2RX2TRPM2
SCHEMBL21882807 0.88 TAS1R3 (0.79) TAS1R3TAS1R1P2RX3P2RX2RNASEL
SCHEMBL29830053 0.86 P2RX3 (0.79) TAS1R3TAS1R1P2RX3P2RX2TRPM2

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
US-20180168208-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2018-06-21 — — US disclosed
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