Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL681106 | 0.77 | HSP90AA1 (0.38) | NLRP3PDE4AP2RX7HSP90AA1NAMPT | |
| SCHEMBL7701702 | 0.76 | XDH (0.39) | NLRP3POLBALDH1A1MAPT | |
| SCHEMBL22409600 | 0.74 | HSP90AA1 (0.40) | PDE4AP2RX7HSP90AA1ALDH1A1 | |
| SCHEMBL24496491 | 0.74 | HSP90AA1 (0.35) | NLRP3PDE4AP2RX7POLBHSP90AA1 | |
| SCHEMBL8513553 | 0.74 | NOS2 (0.38) | NLRP3PDE4AP2RX7HSP90AA1ALDH1A1 | |
| SCHEMBL18652595 | 0.73 | PDE4A (0.36) | NLRP3PDE4AP2RX7HSP90AA1NAMPT | |
| SCHEMBL18906047 | 0.72 | TBXAS1 (0.43) | NLRP3PDE4AP2RX7POLBALDH1A1 | |
| SCHEMBL9870333 | 0.72 | HSP90AA1 (0.37) | P2RX7POLBHSP90AA1ALDH1A1MAPT | |
| SCHEMBL28866165 | 0.70 | KCNH3 (0.38) | NLRP3PDE4AP2RX7HSP90AA1KCNH3 | |
| SCHEMBL22911496 | 0.69 | KMT2A (0.39) | ALDH1A1MAPTNPC1HTTAPLNR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002090328-A1 | THE PREPARATION OF SUBSTITUTED PYRIDINES UTILIZING NITRIC AND AN ANHYDRIDE | REILLY INDUSTRIES, INC. (US) | 2002-11-14 | — | — | WO | disclosed |