Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 18/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454441 | 0.88 | SPR (0.43) | SPRROCK2KDM4EALDH1A1GAA | |
| SCHEMBL23889026 | 0.87 | ROCK2 (0.37) | ROCK2 | |
| SCHEMBL19128096 | 0.84 | SPR (0.41) | SPRROCK2 | |
| SCHEMBL19127952 | 0.83 | SPR (0.43) | SPRROCK2 | |
| SCHEMBL19128103 | 0.81 | ROCK2 (0.42) | SPRROCK2 | |
| SCHEMBL17437959 | 0.80 | PRMT5 (0.45) | SPRROCK2KDM4EALDH1A1GAA | |
| SCHEMBL19128735 | 0.79 | SPR (0.41) | SPRROCK2 | |
| SCHEMBL19128200 | 0.78 | SPR (0.41) | SPRROCK2 | |
| SCHEMBL19128213 | 0.78 | ROCK2 (0.39) | SPRROCK2 | |
| SCHEMBL19128205 | 0.77 | SCN9A (0.43) | SPRKDM4EALDH1A1TSHRHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2017123860-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-07-20 | — | — | WO | disclosed |