Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | MERTK | Q12866 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15401021 | 0.88 | MAPK3 (0.38) | MAPT | |
| SCHEMBL9941262 | 0.88 | MAPK3 (0.38) | MAPT | |
| SCHEMBL9970868 | 0.82 | GSK3A (0.34) | — | |
| SCHEMBL9970823 | 0.81 | BTK (0.34) | — | |
| SCHEMBL15400717 | 0.81 | HTR3A (0.34) | NPC1RAB9A | |
| SCHEMBL15401009 | 0.80 | GSK3A (0.41) | — | |
| SCHEMBL9970822 | 0.80 | GSK3A (0.41) | — | |
| SCHEMBL9941696 | 0.80 | GSK3A (0.41) | — | |
| SCHEMBL16188366 | 0.76 | PDE5A (0.35) | — | |
| SCHEMBL9970850 | 0.74 | GSK3A (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083121-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-21 | — | — | WO | disclosed |