Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | ABL1 | P00519 | 2/20 | 0.32 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.31 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.31 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 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 | |
|---|---|---|---|---|
| SCHEMBL1542959 | 1.00 | CYP3A4 (0.73) | CYP3A4TRPV1NFE2L2PDPK1KIF11 | |
| SCHEMBL2128091 | 0.87 | CYP3A4 (0.85) | CYP3A4TRPV1NFE2L2PDPK1KIF11 | |
| SCHEMBL1543113 | 0.87 | CYP3A4 (0.85) | CYP3A4TRPV1NFE2L2PDPK1KIF11 | |
| SCHEMBL2510674 | 0.86 | CYP3A4 (0.54) | CYP3A4TRPV1KIF11ABL1PADI4 | |
| SCHEMBL2510672 | 0.86 | CYP3A4 (0.54) | CYP3A4TRPV1KIF11ABL1PADI4 | |
| SCHEMBL2128074 | 0.84 | CYP3A4 (1.00) | CYP3A4TRPV1PDPK1PADI4JAK2 | |
| SCHEMBL2128077 | 0.84 | CYP3A4 (1.00) | CYP3A4TRPV1PDPK1PADI4JAK2 | |
| SCHEMBL2128895 | 0.83 | CYP3A4 (0.81) | CYP3A4TRPV1NFE2L2PDPK1KIF11 | |
| SCHEMBL1542989 | 0.83 | CYP3A4 (0.81) | CYP3A4TRPV1NFE2L2PDPK1KIF11 | |
| SCHEMBL2127937 | 0.83 | CYP3A4 (0.87) | CYP3A4TRPV1PDPK1PADI4JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8273773-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2012-09-25 | — | — | US | claimed |
| EP-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |