Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 2/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.30 |
| ▸ | EP300 | Q09472 | 1/20 | 0.30 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | CHUK | O15111 | 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 | 0.80 | CYP3A4 (0.49) | CYP3A4PDPK1BRD4EP300 | |
| SCHEMBL8219892 | 0.80 | CYP3A4 (0.50) | CYP3A4PDPK1PADI4JAK2BRD4 | |
| SCHEMBL8219660 | 0.79 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL1543239 | 0.72 | CYP3A4 (0.68) | CYP3A4PDPK1PADI4BRD4NR3C2 | |
| SCHEMBL1543237 | 0.72 | CYP3A4 (0.68) | CYP3A4PDPK1PADI4BRD4NR3C2 | |
| SCHEMBL1542584 | 0.71 | CYP3A4 (0.62) | CYP3A4PDPK1PADI4BRD4NR3C2 | |
| SCHEMBL2127415 | 0.71 | CYP3A4 (0.62) | CYP3A4PDPK1PADI4BRD4NR3C2 | |
| SCHEMBL8220380 | 0.71 | CYP3A4 (0.47) | CYP3A4BRD4EP300 | |
| SCHEMBL2127204 | 0.70 | CYP3A4 (0.63) | CYP3A4PDPK1PADI4ESR1BRD4 | |
| SCHEMBL2127207 | 0.70 | CYP3A4 (0.63) | CYP3A4PDPK1PADI4ESR1BRD4 |
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 |