Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.31 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542489 | 0.93 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4MAPK14 | |
| SCHEMBL2128593 | 0.93 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4MAPK14 | |
| SCHEMBL1542551 | 0.91 | CYP3A4 (0.64) | CYP3A4CRBNTRPV1PADI4 | |
| SCHEMBL2127579 | 0.91 | CYP3A4 (0.64) | CYP3A4CRBNTRPV1PADI4 | |
| SCHEMBL2127615 | 0.90 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4MAPK14 | |
| SCHEMBL1542691 | 0.90 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4MAPK14 | |
| SCHEMBL2128539 | 0.88 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4 | |
| SCHEMBL1543381 | 0.88 | CYP3A4 (0.70) | CYP3A4CRBNTRPV1PADI4 | |
| SCHEMBL2127645 | 0.86 | CYP3A4 (0.65) | CYP3A4CRBNTRPV1 | |
| SCHEMBL1543266 | 0.86 | CYP3A4 (0.65) | CYP3A4CRBNTRPV1 |
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 | claimed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | claimed |