Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | GLS | O94925 | 3/20 | 0.40 |
| ▸ | DDT | P30046 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5244747 | 0.94 | BRD4 (0.47) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL5248746 | 0.93 | ROCK2 (0.43) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL5244551 | 0.93 | ROCK2 (0.45) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL5246370 | 0.92 | GLS (0.51) | ROCK2ROCK1GLS | |
| SCHEMBL5246709 | 0.91 | ROCK2 (0.42) | ROCK2ROCK1POLBLMNABRD4 | |
| SCHEMBL5246767 | 0.91 | MIF (0.47) | CYP2D6CYP2C9LMNAL3MBTL1BRD4 | |
| SCHEMBL5246245 | 0.90 | ROCK2 (0.41) | ROCK2ROCK1BRD4DDTPSEN1 | |
| SCHEMBL5246030 | 0.90 | LMNA (0.42) | ROCK2ROCK1POLBLMNABRD4 | |
| SCHEMBL5249644 | 0.89 | LOX (0.40) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL5248515 | 0.89 | DDT (0.39) | ROCK2ROCK1BRD4GLSDDT |
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 |