Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL8219710 | 0.87 | CYP3A4 (0.49) | CYP3A4DRD3GRIN1GRIN2BKDM4E | |
| SCHEMBL1542738 | 0.71 | CYP3A4 (0.59) | CYP3A4 | |
| SCHEMBL8222879 | 0.71 | CYP3A4 (0.51) | CYP3A4BRD4EP300 | |
| SCHEMBL8221451 | 0.70 | MCL1 (0.34) | — | |
| SCHEMBL1346748 | 0.69 | CYP3A4 (0.55) | CYP3A4GRIN1GRIN2BKDM4ELMNA | |
| SCHEMBL1542619 | 0.69 | CYP3A4 (0.67) | CYP3A4KDM4EALDH1A1LMNAHPGD | |
| SCHEMBL8219892 | 0.67 | CYP3A4 (0.50) | CYP3A4BRD4EP300 | |
| SCHEMBL1542324 | 0.66 | CYP3A4 (0.62) | CYP3A4EP300 | |
| SCHEMBL1542367 | 0.66 | CYP3A4 (0.62) | CYP3A4EP300 | |
| SCHEMBL1542382 | 0.64 | CYP3A4 (0.59) | CYP3A4 |
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-2480533-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-08-01 | — | — | EP | claimed |
| WO-2011033045-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-24 | — | — | WO | claimed |
| EP-2480533-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-08-01 | — | — | EP | disclosed |
| WO-2011033045-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-24 | — | — | WO | disclosed |