Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | F2R | P25116 | 1/20 | 0.32 |
| ▸ | DDX3X | O00571 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9822516 | 0.88 | ADORA2A (0.55) | ADORA2ACNR1CNR2AOC3NPC1 | |
| SCHEMBL6859921 | 0.75 | ADORA2A (0.42) | ADORA2ACNR1CNR2AOC3PDE4A | |
| SCHEMBL9822815 | 0.70 | HTT (0.35) | CNR1CNR2KCNH2AOC3NPC1 | |
| SCHEMBL27968243 | 0.70 | CCR1 (0.43) | NPC1RAB9AAPLNRDDX3XLMNA | |
| SCHEMBL10693416 | 0.69 | KCNH2 (0.38) | ADORA2AKCNH2AOC3F2RADORA2B | |
| SCHEMBL27880002 | 0.65 | SMN1; SMN2 (0.56) | NPC1RAB9ADDX3XLMNAHTT | |
| SCHEMBL10369402 | 0.65 | KCNH2 (0.47) | KCNH2NPC1RAB9ATLR7LMNA | |
| SCHEMBL1404092 | 0.64 | KCNH2 (0.83) | KCNH2TLR7 | |
| SCHEMBL6006946 | 0.64 | CYP1A2 (0.47) | ADORA2APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL9823108 | 0.64 | KCNH2 (0.38) | KCNH2F2R |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0217552-B1 | NOVEL PYRIDINE DERIVATIVES, METHOD FOR PRODUCTION THEREOF AND A PLANT DISEASE PROTECTANT CONTAINING THEM AS THE ACTIVE INGREDIENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-04-03 | — | — | EP | disclosed |