Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | DDT | P30046 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GRK2 | P25098 | 2/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | GRK5 | P34947 | 1/20 | 0.35 |
| ▸ | GRK1 | Q15835 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5245796 | 0.95 | ROCK2 (0.44) | ROCK2ROCK1KLKB1CYP2C19ALDH1A1 | |
| SCHEMBL5247070 | 0.93 | ROCK2 (0.41) | ROCK2ROCK1KLKB1BRD4LMNA | |
| SCHEMBL5244355 | 0.91 | PDE10A (0.40) | ROCK2ROCK1PDE10ABRD4LMNA | |
| SCHEMBL5250093 | 0.91 | ROCK2 (0.41) | ROCK2ROCK1PDE10ABRD4LMNA | |
| SCHEMBL5244350 | 0.91 | ROCK2 (0.38) | ROCK2ROCK1KLKB1PDE10ACYP2C19 | |
| SCHEMBL5246709 | 0.89 | ROCK2 (0.42) | ROCK2ROCK1PDE10ABRD4LMNA | |
| SCHEMBL5244706 | 0.89 | ROCK2 (0.40) | ROCK2ROCK1PDE10ABRD4DDT | |
| SCHEMBL5246767 | 0.89 | MIF (0.47) | CYP2C19BRD4MEN1KMT2AALDH1A1 | |
| SCHEMBL5245935 | 0.88 | ROCK2 (0.41) | ROCK2ROCK1PDE10ABRD4DDT | |
| SCHEMBL5244462 | 0.88 | MAPT (0.40) | BRD4MAPTMIF |
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 |