Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.63 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.63 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | CLK1 | P49759 | 1/20 | 0.57 |
| ▸ | NAMPT | P43490 | 4/20 | 0.57 |
| ▸ | RORC | P51449 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | WNT1 | P04628 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21426361 | 0.86 | AURKB (0.74) | AURKBMAPK1CLK1WNT1GSK3B | |
| SCHEMBL3246062 | 0.85 | ROCK2 (0.70) | ROCK2ROCK1CLK1NAMPTMAPT | |
| SCHEMBL18406062 | 0.83 | KIT (0.60) | AURKBMAPK1 | |
| SCHEMBL21286084 | 0.82 | WNT1 (0.64) | NAMPTRORCNPC1RAB9AMAPT | |
| SCHEMBL29312949 | 0.82 | ROCK2 (0.67) | ROCK2NAMPTRORCMAPTHTT | |
| SCHEMBL23019558 | 0.82 | RORC (0.61) | ROCK2ROCK1AURKBMAPK1NAMPT | |
| SCHEMBL10133206 | 0.81 | ROCK2 (0.80) | ROCK2ROCK1NAMPTRORCNPC1 | |
| SCHEMBL21426449 | 0.80 | MAPK1 (0.64) | AURKBMAPK1CLK1WNT1GSK3B | |
| SCHEMBL23019614 | 0.79 | MAPK1 (0.63) | AURKBMAPK1CLK1RORCWNT1 | |
| SCHEMBL21426475 | 0.79 | ROCK2 (0.61) | ROCK2ROCK1NAMPTRORCNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | disclosed |
| EP-3782986-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2021-02-24 | — | — | EP | disclosed |