Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13255361 | 0.92 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DPOLB | |
| SCHEMBL13283180 | 0.88 | ALDH1A1 (0.42) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL14046370 | 0.88 | PDE4A (0.39) | PDE4APDE4BPDE4CPDE4DPOLB | |
| SCHEMBL13255366 | 0.83 | PDE4A (0.46) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL13255343 | 0.82 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DSMN1; SMN2 | |
| SCHEMBL13255356 | 0.81 | SMN1; SMN2 (0.44) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL13255352 | 0.78 | MAOB (0.39) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4261933 | 0.78 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL13255339 | 0.77 | RNASEH1 (0.44) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13255349 | 0.76 | P2RX3 (0.39) | ALDH1A1HPGDSMN1; SMN2NPSR1LMNA |
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 4 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 |
| EP-1375486-B1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2008-10-15 | — | — | EP | disclosed |