Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | DRD3 | P35462 | 3/20 | 0.33 |
| ▸ | CTSC | P53634 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22685261 | 0.86 | ROCK2 (0.36) | ROCK2ROCK1ADORA3CTSLCTSB | |
| SCHEMBL22684823 | 0.85 | SCN9A (0.39) | SCN9AROCK2ROCK1ADORA3CTSL | |
| SCHEMBL22685090 | 0.77 | CD274 (0.43) | ROCK2ROCK1CTSLCTSBCTSS | |
| SCHEMBL22684827 | 0.76 | AKT1 (0.39) | ROCK2ROCK1CTSLCTSBCTSS | |
| SCHEMBL22685322 | 0.76 | ROCK2 (0.38) | ROCK2ROCK1CTSLCTSBCTSS | |
| SCHEMBL22685331 | 0.75 | AKT1 (0.38) | CTSLCTSBCTSSBTKDRD2 | |
| SCHEMBL22686780 | 0.75 | ROCK2 (0.37) | ROCK2ROCK1CTSLCTSBCTSS | |
| SCHEMBL22685332 | 0.74 | AKT1 (0.38) | CTSLCTSBCTSSRARARARB | |
| SCHEMBL22685308 | 0.74 | PDE10A (0.40) | ROCK2ROCK1CTSLCTSBCTSS | |
| SCHEMBL22685160 | 0.73 | WDR91 (0.41) | CTSLCTSBCTSSBTK |
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-2020228823-A1 | NOVEL AMIDE COMPOUNDS AND USES THEREOF | HUTCHISON MEDIPHARMA LIMITED (CN) | 2020-11-19 | — | — | WO | disclosed |