Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PTPRB | P23467 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPRA | P18433 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542804 | 0.89 | CYP3A4 (0.44) | CYP3A4TRPV1KDM4EALDH1A1LMNA | |
| SCHEMBL1543087 | 0.83 | CYP3A4 (0.44) | CYP3A4TRPV1EPHX2NR1H4 | |
| SCHEMBL1542651 | 0.82 | CYP3A4 (0.43) | CYP3A4TRPV1KDM4EALDH1A1LMNA | |
| SCHEMBL1542803 | 0.75 | CYP3A4 (0.44) | CYP3A4TRPV1EPHX2NR1H4 | |
| SCHEMBL1542505 | 0.74 | CYP3A4 (0.47) | CYP3A4LMNAHPGDSMN1; SMN2 | |
| SCHEMBL2128771 | 0.74 | CYP3A4 (0.45) | CYP3A4TRPV1EPHX2NR1H4 | |
| SCHEMBL6765973 | 0.73 | CYP3A4 (0.62) | CYP3A4ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL12678845 | 0.72 | CYP3A4 (0.44) | CYP3A4ALDH1A1LMNAHPGDHTT | |
| SCHEMBL1542649 | 0.72 | CYP3A4 (0.44) | CYP3A4TRPV1EPHX2NR1H4 | |
| SCHEMBL1764621 | 0.72 | CYP3A4 (0.46) | CYP3A4TRPV1KDM4ELMNASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | disclosed |