Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.54 |
| ▸ | RPS6KB2 | Q9UBS0 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8225196 | 0.94 | RPS6KB2 (0.55) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 | |
| SCHEMBL7917553 | 0.84 | ADORA2A (0.44) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 | |
| SCHEMBL8380340 | 0.84 | ADORA2A (0.50) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 | |
| SCHEMBL8030948 | 0.83 | RPS6KB2 (0.59) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 | |
| SCHEMBL14164355 | 0.82 | RPS6KB2 (0.59) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 | |
| SCHEMBL8219378 | 0.80 | RPS6KB2 (0.56) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 | |
| SCHEMBL8211524 | 0.79 | RPS6KB2 (0.82) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 | |
| SCHEMBL7918132 | 0.78 | RPS6KB2 (0.44) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 | |
| SCHEMBL8381542 | 0.78 | ADORA2A (0.50) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 | |
| SCHEMBL24175690 | 0.78 | HRH4 (0.38) | ADORA2AADORA1RPS6KB2ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8809264-B2 | Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2014-08-19 | — | — | US | disclosed |