Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | IKBKB | O14920 | 4/20 | 0.37 |
| ▸ | CHUK | O15111 | 4/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 7/20 | 0.35 |
| ▸ | CNR1 | P21554 | 6/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542544 | 0.80 | CYP3A4 (0.57) | CYP3A4CNR2CNR1 | |
| SCHEMBL1542988 | 0.71 | CYP3A4 (0.81) | CYP3A4BRD4PDPK1EP300 | |
| SCHEMBL1542581 | 0.70 | CYP3A4 (1.00) | CYP3A4BRD4EP300 | |
| SCHEMBL1542304 | 0.70 | CYP3A4 (0.79) | CYP3A4BRD4PDPK1EP300 | |
| SCHEMBL1542623 | 0.69 | CYP3A4 (0.72) | CYP3A4PDPK1EP300 | |
| SCHEMBL2128400 | 0.69 | CYP3A4 (0.84) | CYP3A4IKBKBBRD4NR3C1FYN | |
| SCHEMBL1542682 | 0.69 | CYP3A4 (0.69) | CYP3A4IKBKBCHUKEP300 | |
| SCHEMBL1542941 | 0.68 | CYP3A4 (0.41) | CYP3A4IKBKBCHUKCNR2 | |
| SCHEMBL1542813 | 0.67 | CYP3A4 (0.77) | CYP3A4BRD4FYNTGFBR1ACVR1 | |
| SCHEMBL1542597 | 0.67 | CYP3A4 (0.57) | CYP3A4 |
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 1 patent. 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 |