Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | STING1 | Q86WV6 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5248700 | 0.95 | ROCK2 (0.41) | ROCK2ROCK1CYP2C19ALDH1A1LMNA | |
| SCHEMBL5245995 | 0.91 | ROCK2 (0.41) | ROCK2ROCK1CYP2C19ALDH1A1LMNA | |
| SCHEMBL5247070 | 0.89 | ROCK2 (0.41) | ROCK2ROCK1LMNAKLKB1 | |
| SCHEMBL5244355 | 0.88 | PDE10A (0.40) | ROCK2ROCK1LMNAMET | |
| SCHEMBL5250093 | 0.88 | ROCK2 (0.41) | ROCK2ROCK1LMNAMAPT | |
| SCHEMBL5244638 | 0.87 | LMNA (0.39) | ROCK2ROCK1LMNAMAPT | |
| SCHEMBL5246245 | 0.86 | ROCK2 (0.41) | ROCK2ROCK1 | |
| SCHEMBL5244350 | 0.85 | ROCK2 (0.38) | ROCK2ROCK1CYP2C19ALDH1A1LMNA | |
| SCHEMBL5246709 | 0.85 | ROCK2 (0.42) | ROCK2ROCK1LMNAMAPT | |
| SCHEMBL5247657 | 0.85 | LMNA (0.46) | LMNA |
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 |