Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | CLK1 | P49759 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CLK3 | P49761 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2995167 | 1.00 | CISD1 (0.36) | CISD1KMT2AALDH1A1MAPTHTT | |
| Trifluoroacetic Acid SCHEMBL2995171 | 1.00 | CISD1 (0.36) | CISD1KMT2AALDH1A1MAPTHTT | |
| SCHEMBL4586474 | 0.93 | KMT2A (0.41) | KMT2AALDH1A1MAPTHTTMEN1 | |
| SCHEMBL4586479 | 0.93 | KMT2A (0.41) | KMT2AALDH1A1MAPTHTTMEN1 | |
| SCHEMBL2995679 | 0.92 | KMT2A (0.41) | KMT2AALDH1A1MAPTHTTMEN1 | |
| SCHEMBL4585273 | 0.92 | KMT2A (0.41) | KMT2AALDH1A1MAPTHTTMEN1 | |
| SCHEMBL2995682 | 0.92 | KMT2A (0.41) | KMT2AALDH1A1MAPTHTTMEN1 | |
| SCHEMBL2996092 | 0.85 | ENPP2 (0.48) | CISD1KDM4EENPP2HTR6PIK3CA | |
| SCHEMBL2993546 | 0.85 | MEN1 (0.40) | CISD1KMT2AALDH1A1MAPTHTT | |
| SCHEMBL2993532 | 0.85 | HTR6 (0.47) | HTR6PIK3CADYRK3CSNK1ECLK1 |
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 |