Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RPS6KB2 | Q9UBS0 | 7/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PGK1 | P00558 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 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 | |
|---|---|---|---|---|
| SCHEMBL13595008 | 0.88 | PGK1 (0.53) | RAB9ANPC1RPS6KB2ADORA2AADORA1 | |
| SCHEMBL8380271 | 0.87 | RPS6KB2 (0.49) | RAB9ANPC1RPS6KB2ADORA2AADORA1 | |
| SCHEMBL8381174 | 0.86 | RPS6KB2 (0.72) | RAB9ANPC1RPS6KB2ADORA2AADORA1 | |
| SCHEMBL13595005 | 0.84 | RPS6KB2 (0.46) | RAB9ANPC1RPS6KB2ADORA2AADORA1 | |
| SCHEMBL13595006 | 0.83 | RPS6KB2 (0.52) | RAB9ANPC1RPS6KB2PGK1ALDH1A1 | |
| SCHEMBL13595011 | 0.83 | RPS6KB2 (0.52) | RAB9ANPC1RPS6KB2PGK1ALDH1A1 | |
| SCHEMBL13595037 | 0.83 | RPS6KB2 (0.69) | RAB9ANPC1RPS6KB2ADORA2AADORA1 | |
| SCHEMBL6236081 | 0.82 | RPS6KB2 (0.70) | RAB9ANPC1RPS6KB2ADORA2AADORA1 | |
| SCHEMBL15958293 | 0.81 | RPS6KB2 (0.51) | RAB9ANPC1RPS6KB2ADORA2AADORA1 | |
| SCHEMBL8380340 | 0.81 | ADORA2A (0.50) | RAB9ANPC1RPS6KB2ADORA2AADORA1 |
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 |