Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | NR2E3 | Q9Y5X4 | 2/20 | 0.33 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4586168 | 1.00 | PTGDR2 (0.34) | PTGDR2EGFRGBA1NR2E3CISD1 | |
| Trifluoroacetic Acid SCHEMBL2991042 | 0.96 | EGFR (0.33) | PTGDR2EGFRGBA1NR2E3CISD1 | |
| Trifluoroacetic Acid SCHEMBL2991046 | 0.96 | EGFR (0.33) | PTGDR2EGFRGBA1NR2E3CISD1 | |
| SCHEMBL4587397 | 0.87 | ALDH1A1 (0.38) | PTGDR2NR2E3CISD1MCHR1HDAC4 | |
| SCHEMBL4587403 | 0.87 | ALDH1A1 (0.38) | PTGDR2NR2E3CISD1MCHR1HDAC4 | |
| SCHEMBL2989491 | 0.87 | EGFR (0.34) | PTGDR2EGFRGBA1NR2E3CISD1 | |
| Trifluoroacetic Acid SCHEMBL2995750 | 0.83 | ALDH1A1 (0.35) | CISD1 | |
| Trifluoroacetic Acid SCHEMBL2995754 | 0.83 | ALDH1A1 (0.35) | CISD1 | |
| Trifluoroacetic Acid SCHEMBL2994088 | 0.83 | GBA1 (0.34) | PTGDR2EGFRGBA1CISD1MCHR1 | |
| SCHEMBL4585672 | 0.82 | EGFR (0.39) | EGFRCISD1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1879563-A4 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2008-07-16 | — | — | EP | claimed |
| EP-1879563-A2 | NOVEL CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2008-01-23 | — | — | EP | claimed |
| WO-2006132739-A2 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-12-14 | — | — | WO | claimed |