Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 2/20 | 0.61 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.60 |
| ▸ | EP300 | Q09472 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.50 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23019288 | 0.82 | ROCK2 (0.63) | RORCEP300AURKBMAPK1TSHR | |
| SCHEMBL19542199 | 0.77 | IDO1 (0.69) | RORCAAK1EP300 | |
| SCHEMBL3246062 | 0.77 | ROCK2 (0.70) | NAMPTROCK2ROCK1ALDH1A1 | |
| SCHEMBL20961839 | 0.77 | RORC (1.00) | RORC | |
| SCHEMBL29312949 | 0.76 | ROCK2 (0.67) | RORCNAMPTROCK2ALDH1A1 | |
| SCHEMBL28452637 | 0.76 | RORC (0.87) | RORCNAMPT | |
| SCHEMBL28445805 | 0.75 | RORC (0.85) | RORCNAMPT | |
| SCHEMBL961096 | 0.75 | AAK1 (0.64) | AAK1EP300ALDH1A1 | |
| SCHEMBL28454883 | 0.75 | RORC (0.78) | RORCAURKBMAPK1TSHR | |
| SCHEMBL5061771 | 0.74 | HTR2A (0.70) | — |
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-3782986-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2021-02-24 | — | — | EP | disclosed |