SCHEMBL23440101

SCHEMBL23440101

O=P(O)(O)OC[C@@H]1OC(n2cnc3c(NCc4ccccc4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 4/20 1.00
P2RX3 P56373 2/20 0.86
P2RX2 Q9UBL9 2/20 0.86
NT5E P21589 5/20 0.84
ADORA3 P0DMS8 7/20 0.74
TP53 P04637 1/20 0.74
SLC29A1 Q99808 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
P2RY12 Q9H244 1/20 0.73
TAS1R3 Q7RTX0 1/20 0.67
TAS1R1 Q7RTX1 1/20 0.67
P2RX4 Q99571 1/20 0.67

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
SCHEMBL13972003 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL14700471 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL13957724 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL17022278 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL29564113 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL218999 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL9607782 0.93 P2RX3 (0.98) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL30076630 0.93 P2RX3 (0.98) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL29941330 0.93 P2RX3 (0.98) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL13033867 0.93 P2RX3 (0.98) DNPH1P2RX3P2RX2NT5EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4403042-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2024-07-24 EP disclosed
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed