Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 3/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 11/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 10/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22640761 | 0.84 | NR1H2 (0.63) | ROCK2DRD2DRD3RIPK1NR1H2 | |
| SCHEMBL28414413 | 0.84 | NR1H2 (0.63) | ROCK2DRD2DRD3RIPK1NR1H2 | |
| SCHEMBL16401682 | 0.83 | ROCK2 (0.49) | ROCK2RIPK1SIGMAR1NR1H2NR1H3 | |
| SCHEMBL16401122 | 0.80 | RIPK1 (0.46) | RIPK1 | |
| SCHEMBL1847627 | 0.78 | RIPK1 (0.69) | RIPK1 | |
| SCHEMBL1853141 | 0.78 | RIPK1 (0.69) | RIPK1 | |
| SCHEMBL17558248 | 0.78 | RIPK1 (0.69) | RIPK1 | |
| SCHEMBL17513396 | 0.78 | SCD5 (0.51) | ROCK2DRD2DRD3RIPK1 | |
| SCHEMBL22498217 | 0.78 | SCD5 (0.51) | ROCK2DRD2DRD3RIPK1 | |
| SCHEMBL27659813 | 0.78 | RIPK1 (0.57) | RIPK1 |
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-3183248-A1 | TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-06-28 | — | — | EP | disclosed |
| WO-2016028971-A1 | TIED-BACK BENZAMIDE DERIVATIVES AS POTENT ROCK INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-02-25 | — | — | WO | disclosed |