Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DDT | P30046 | 3/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.35 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.35 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5245995 | 0.95 | ROCK2 (0.41) | ROCK2ROCK1KLKB1CYP2C19ALDH1A1 | |
| SCHEMBL5244804 | 0.93 | ROCK2 (0.39) | ROCK2ROCK1KLKB1DDTPSEN1 | |
| SCHEMBL5245965 | 0.92 | PDE10A (0.37) | ROCK2ROCK1KLKB1DDTPDE10A | |
| SCHEMBL5246315 | 0.92 | HPGD (0.39) | ROCK2ROCK1PDE10ALMNA | |
| SCHEMBL5248700 | 0.91 | ROCK2 (0.41) | ROCK2ROCK1KLKB1MEN1KMT2A | |
| SCHEMBL3111267 | 0.89 | GLS (0.43) | ROCK2ROCK1DDTPSEN1PSEN2 | |
| SCHEMBL5246041 | 0.89 | MIF (0.45) | DDTPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL5248109 | 0.89 | EGLN1 (0.38) | ROCK2ROCK1DDTPDE10APSEN1 | |
| SCHEMBL5247824 | 0.88 | MMP13 (0.39) | ROCK2ROCK1DDTPDE10APSEN1 | |
| SCHEMBL5246077 | 0.88 | MMP13 (0.37) | DDTPSEN1PSEN2APH1BNCSTN |
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-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | disclosed |