Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 16/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23889188 | 0.89 | ROCK2 (0.38) | ROCK2 | |
| SCHEMBL19127243 | 0.85 | SPR (0.43) | SPRKDM4EALDH1A1GAATSHR | |
| SCHEMBL19128127 | 0.84 | SPR (0.42) | SPRKDM4EALDH1A1GAATSHR | |
| SCHEMBL19128130 | 0.84 | SPR (0.42) | SPRKDM4EALDH1A1GAATSHR | |
| SCHEMBL19127292 | 0.84 | SPR (0.43) | SPRKDM4EALDH1A1GAATSHR | |
| SCHEMBL23888943 | 0.77 | IRAK4 (0.36) | ROCK2 | |
| SCHEMBL25583491 | 0.76 | SPR (0.49) | SPRKDM4EALDH1A1GAATSHR | |
| SCHEMBL17437928 | 0.76 | SPR (0.49) | SPRKDM4EALDH1A1GAATSHR | |
| SCHEMBL17454441 | 0.75 | SPR (0.43) | SPRKDM4EALDH1A1GAATSHR | |
| SCHEMBL23587233 | 0.75 | SPR (0.48) | SPRKDM4EALDH1A1GAATSHR |
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-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |