SCHEMBL20276972

SCHEMBL20276972

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)C(O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 10/20 1.00
P2RX3 P56373 2/20 0.85
P2RX2 Q9UBL9 2/20 0.85
P2RX4 Q99571 1/20 0.85
P2RY12 Q9H244 2/20 0.81
LMNA P02545 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
ALDH1A1 P00352 1/20 0.73
GLA P06280 1/20 0.73
PMP22 Q01453 1/20 0.73
NPC1 O15118 1/20 0.73
NPY1R P25929 1/20 0.73
HTT P42858 1/20 0.73
NPY2R P49146 1/20 0.73
RAB9A P51151 1/20 0.73
SLC29A1 Q99808 1/20 0.73
RXFP1 Q9HBX9 1/20 0.73
CYP1A2 P05177 1/20 0.73
TSHR P16473 1/20 0.73
NFKB1 P19838 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
SCHEMBL20277535 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2P2RX4P2RY12
SCHEMBL20282728 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2P2RX4P2RY12
SCHEMBL21058282 0.89 P2RX3 (0.88) DNPH1P2RX3P2RX2P2RX4P2RY12
SCHEMBL30394947 0.89 DNPH1 (0.81) DNPH1P2RX3P2RX2P2RX4P2RY12
SCHEMBL21839869 0.89 DNPH1 (0.81) DNPH1P2RX3P2RX2P2RX4P2RY12
SCHEMBL23907460 0.88 DNPH1 (0.78) DNPH1P2RX3P2RX2P2RX4P2RY12
SCHEMBL218999 0.88 DNPH1 (1.00) DNPH1P2RX3P2RX2P2RX4P2RY12
SCHEMBL14700471 0.88 DNPH1 (1.00) DNPH1P2RX3P2RX2P2RX4P2RY12
SCHEMBL13957724 0.88 DNPH1 (1.00) DNPH1P2RX3P2RX2P2RX4P2RY12
SCHEMBL17824398 0.88 P2RY12 (0.81) DNPH1P2RX3P2RX2P2RX4P2RY12

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