Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.34 |
| ▸ | CDC25A | P30304 | 1/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.31 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2127500 | 0.88 | CYP3A4 (0.41) | CYP3A4ABL1JAK2CD274PDE10A | |
| SCHEMBL1542446 | 0.84 | CYP3A4 (0.48) | CYP3A4ABL1CD274ALDH1A1KDM4E | |
| SCHEMBL1542355 | 0.82 | CYP3A4 (0.43) | CYP3A4ABL1CD274ALDH1A1HPGD | |
| SCHEMBL1542562 | 0.80 | SCN5A (0.35) | ABL1CD274VNN1IRAK4FGFR3 | |
| SCHEMBL1542928 | 0.79 | CYP3A4 (0.44) | CYP3A4ABL1JAK2CD274CDC25A | |
| SCHEMBL1542657 | 0.77 | CYP3A4 (0.49) | CYP3A4ABL1ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL1542559 | 0.76 | HCAR3 (0.43) | CYP3A4ABL1ALDH1A1HPGDTSHR | |
| SCHEMBL1542911 | 0.76 | CYP3A4 (0.49) | CYP3A4ABL1CD274ALDH1A1KDM4E | |
| SCHEMBL1542477 | 0.76 | CYP3A4 (0.59) | CYP3A4ABL1CDC25ACDC25B | |
| SCHEMBL1542748 | 0.75 | CYP3A4 (0.47) | CYP3A4ABL1CD274ALDH1A1HPGD |
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-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | claimed |
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | disclosed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | disclosed |