Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 15/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.39 |
| ▸ | BCL9 | O00512 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8810366 | 0.90 | ROCK2 (0.55) | ROCK2ROCK1GAANPSR1CTNNB1 | |
| SCHEMBL8807120 | 0.87 | GAA (0.48) | ROCK2GAANPSR1CYP2C9CYP3A4 | |
| SCHEMBL8809317 | 0.86 | ROCK2 (0.43) | ROCK2GAANPSR1CYP2C9CYP3A4 | |
| SCHEMBL9056291 | 0.86 | ROCK2 (0.43) | ROCK2GAANPSR1CYP2C9CYP3A4 | |
| SCHEMBL8807169 | 0.85 | ROCK2 (0.42) | ROCK2GAANPSR1CYP2C9CYP3A4 | |
| SCHEMBL8810019 | 0.85 | ROCK2 (0.43) | ROCK2GAANPSR1CYP2C9CYP3A4 | |
| SCHEMBL9057529 | 0.84 | WNT1 (0.44) | ROCK2GAANPSR1THRB | |
| SCHEMBL8809549 | 0.82 | GAA (0.44) | ROCK2GAANPSR1CYP2C9CYP3A4 | |
| SCHEMBL9056992 | 0.81 | LMNA (0.45) | ROCK2GAANPSR1NTRK1 | |
| SCHEMBL9059369 | 0.80 | GAA (0.49) | GAANPSR1CYP2C9CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0784612-A1 | UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-07-23 | — | — | EP | disclosed |
| WO-1996010559-A1 | UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-04-11 | — | — | WO | disclosed |