Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | BRD4 | O60885 | 8/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
| ▸ | EP300 | Q09472 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | KIT | P10721 | 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 | |
|---|---|---|---|---|
| SCHEMBL2129685 | 0.93 | CYP3A4 (0.60) | CYP3A4BRD4 | |
| SCHEMBL1542606 | 0.91 | CYP3A4 (0.75) | CYP3A4KIF11CRBN | |
| SCHEMBL1542609 | 0.91 | CYP3A4 (0.75) | CYP3A4KIF11CRBN | |
| SCHEMBL1542670 | 0.90 | CYP3A4 (0.58) | CYP3A4 | |
| SCHEMBL1542808 | 0.90 | CYP3A4 (0.58) | CYP3A4 | |
| SCHEMBL2127068 | 0.90 | CYP3A4 (0.58) | CYP3A4 | |
| SCHEMBL2128721 | 0.90 | CYP3A4 (0.63) | CYP3A4CRBN | |
| SCHEMBL2128722 | 0.90 | CYP3A4 (0.63) | CYP3A4CRBN | |
| SCHEMBL1542311 | 0.88 | CYP3A4 (0.55) | CYP3A4BRD4 | |
| SCHEMBL1543095 | 0.88 | CYP3A4 (0.60) | CYP3A4BRD4KIT |
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-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | claimed |