Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.39 |
| ▸ | MELK | Q14680 | 4/20 | 0.34 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4585672 | 1.00 | EGFR (0.39) | EGFRMELKCISD1KDM4EALDH1A1 | |
| SCHEMBL5050823 | 0.91 | MAPT (0.41) | EGFRKDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL2989487 | 0.91 | MAPT (0.41) | EGFRKDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL2989491 | 0.86 | EGFR (0.34) | EGFRCISD1KDM4EALDH1A1GAA | |
| SCHEMBL2988900 | 0.83 | EGFR (0.40) | EGFRCISD1L3MBTL1 | |
| SCHEMBL2988902 | 0.83 | EGFR (0.40) | EGFRCISD1L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL4586199 | 0.83 | GBA1 (0.39) | EGFRMELKKDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4586182 | 0.83 | GBA1 (0.39) | EGFRMELKKDM4EALDH1A1 | |
| SCHEMBL4586161 | 0.82 | PTGDR2 (0.34) | EGFRCISD1L3MBTL1 | |
| SCHEMBL4586168 | 0.82 | PTGDR2 (0.34) | 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 | disclosed |
| EP-1879563-A2 | NOVEL CHEMICAL COMPOUNDS | Smithkline Beecham Corporation (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006132739-A2 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-12-14 | — | — | WO | disclosed |