Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.67 |
| ▸ | PDE4A | P27815 | 5/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.36 |
| ▸ | WDR5 | P61964 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6788330 | 1.00 | TACR1 (0.67) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL7785041 | 0.94 | TACR1 (0.76) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6795274 | 0.94 | TACR1 (0.76) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6801261 | 0.93 | TACR1 (0.68) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6788387 | 0.93 | TACR1 (0.66) | TACR1PDE4AROCK2ROCK1KCNH2 | |
| SCHEMBL7786545 | 0.93 | TACR1 (0.68) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL7783707 | 0.90 | TACR1 (0.62) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6800012 | 0.90 | TACR1 (0.62) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6799323 | 0.88 | TACR1 (0.72) | TACR1PDE4AKCNH2HRH3 | |
| SCHEMBL6794855 | 0.86 | TACR1 (0.75) | TACR1PDE4AKCNH2 |
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-1145714-A1 | DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2001-10-17 | — | — | EP | disclosed |