Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18360690 | 0.81 | — | — | |
| SCHEMBL807324 | 0.76 | — | — | |
| SCHEMBL25240017 | 0.72 | ALDH1A1 (0.61) | ROCK2ROCK1 | |
| SCHEMBL25278675 | 0.72 | ALDH1A1 (0.61) | ROCK2ROCK1 | |
| SCHEMBL18360594 | 0.69 | — | — | |
| SCHEMBL18360686 | 0.67 | KMT2A (0.49) | — | |
| SCHEMBL30478645 | 0.66 | ALDH1A1 (0.56) | — | |
| SCHEMBL25741359 | 0.66 | ALDH1A1 (0.56) | — | |
| SCHEMBL25741362 | 0.66 | ALDH1A1 (0.56) | — | |
| SCHEMBL807466 | 0.66 | — | — |
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-2615916-B1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2017-01-04 | — | — | EP | disclosed |