Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.62 |
| ▸ | PDE4A | P27815 | 8/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6800012 | 1.00 | TACR1 (0.62) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6788387 | 0.92 | TACR1 (0.66) | TACR1PDE4AROCK2ROCK1 | |
| SCHEMBL6801280 | 0.91 | TACR1 (0.52) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6795400 | 0.90 | TACR1 (0.51) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6799162 | 0.90 | TACR1 (0.69) | TACR1PDE4A | |
| SCHEMBL6795274 | 0.90 | TACR1 (0.76) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL7785041 | 0.90 | TACR1 (0.76) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL7783700 | 0.90 | TACR1 (0.67) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6788330 | 0.90 | TACR1 (0.67) | TACR1PDE4AROCK2ROCK1TNIK | |
| SCHEMBL6801261 | 0.89 | TACR1 (0.68) | TACR1PDE4AROCK2ROCK1TNIK |
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 |