Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COXFA4 | O00483 | 2/20 | 0.68 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | PDE7A | Q13946 | 3/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | SI | P14410 | 3/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3456476 | 0.85 | COXFA4 (0.77) | COXFA4HSP90AA1HTTOPRM1PDE10A | |
| SCHEMBL3456261 | 0.81 | COXFA4 (0.61) | COXFA4HSP90AA1HTTPDE7APDE3A | |
| SCHEMBL14139260 | 0.81 | COXFA4 (1.00) | COXFA4HSP90AA1HTTOPRM1PDE10A | |
| SCHEMBL31026771 | 0.80 | COXFA4 (0.50) | COXFA4MGAMGAASIMGAM2 | |
| SCHEMBL6210404 | 0.80 | COXFA4 (0.50) | COXFA4MGAMGAASIMGAM2 | |
| SCHEMBL12315569 | 0.80 | COXFA4 (0.59) | COXFA4HSP90AA1HTTPDE7APDE3A | |
| SCHEMBL16742142 | 0.78 | COXFA4 (0.53) | COXFA4MGAMGAASIMGAM2 | |
| SCHEMBL12677576 | 0.78 | COXFA4 (0.72) | COXFA4HSP90AA1PDE4BPDE4DOPRM1 | |
| SCHEMBL12315585 | 0.78 | COXFA4 (0.60) | COXFA4HSP90AA1PDE4DOPRM1PDE10A | |
| SCHEMBL9850284 | 0.78 | HIF1A (0.49) | COXFA4MGAMGAASIMGAM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1740225-A4 | CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING | BRISTOL MYERS SQUIBB CO (US) | 2009-08-19 | — | — | EP | disclosed |
| US-7410998-B2 | Inhibitors of NADH:ubiquinone oxidoreductase | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-08-12 | — | — | US | disclosed |
| EP-1740225-A2 | CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING | Bristol-Myers Squibb Company (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105159-A2 | CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-11-10 | — | — | WO | disclosed |