Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13255352 | 0.88 | MAOB (0.39) | RNASEH1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13255339 | 0.87 | RNASEH1 (0.44) | RNASEH1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14046370 | 0.87 | PDE4A (0.39) | PDK1NPC1CACNA1GCACNA1HCACNA1I | |
| SCHEMBL13283180 | 0.85 | ALDH1A1 (0.42) | RNASEH1NPC1PDE4APDE4BPDE4C | |
| SCHEMBL12020194 | 0.82 | PTGS1 (0.42) | — | |
| SCHEMBL13255338 | 0.79 | PDE4A (0.37) | RNASEH1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13255377 | 0.78 | RNASEH1 (0.33) | RNASEH1 | |
| SCHEMBL13255361 | 0.77 | PDE4A (0.43) | RNASEH1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13255341 | 0.76 | PDE4A (0.42) | NPC1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13255343 | 0.71 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4D |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7759372-B2 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| US-7759372-B2 | Nitrogen-containing heteroaryl compounds having inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| EP-2033952-A1 | Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity | Shionogi&Co., Ltd. (JP) | 2009-03-11 | — | — | EP | disclosed |