Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.38 |
| ▸ | TUBB | P07437 | 2/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.38 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.38 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.38 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.38 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.38 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.38 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6765973 | 0.89 | CYP3A4 (0.62) | CYP3A4TUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL12678898 | 0.88 | CYP3A4 (0.47) | CYP3A4HDAC8TUBB1TUBB4ATUBB | |
| SCHEMBL12678903 | 0.86 | CYP3A4 (0.50) | CYP3A4TUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL12680396 | 0.86 | CYP3A4 (0.47) | CYP3A4HDAC8TUBB1TUBB4ATUBB | |
| SCHEMBL12678902 | 0.85 | CYP3A4 (0.44) | CYP3A4HDAC8TUBB1TUBB4ATUBB | |
| SCHEMBL12678896 | 0.83 | CYP3A4 (0.43) | CYP3A4HDAC8HTT | |
| SCHEMBL2492054 | 0.79 | CYP3A4 (0.52) | CYP3A4HDAC8TUBB1TUBB4ATUBB | |
| SCHEMBL2492051 | 0.79 | CYP3A4 (0.52) | CYP3A4HDAC8TUBB1TUBB4ATUBB | |
| SCHEMBL3178153 | 0.78 | CYP19A1 (0.52) | CYP3A4TUBB1TUBB4ATUBBTUBA3C | |
| SCHEMBL1542862 | 0.77 | CYP3A4 (0.63) | CYP3A4HDAC8KIF11 |
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-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | disclosed |