Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17437829 | 0.78 | KDM4E (0.41) | ROCK2KDM4EALDH1A1TDP1 | |
| SCHEMBL17454485 | 0.75 | KDM4E (0.41) | ROCK2KDM4EALDH1A1TDP1 | |
| SCHEMBL19902551 | 0.73 | ROCK2 (0.39) | ROCK2 | |
| SCHEMBL19151019 | 0.72 | ROCK2 (0.38) | ROCK2 | |
| SCHEMBL19150044 | 0.71 | ROCK2 (0.34) | ROCK2 | |
| SCHEMBL17454421 | 0.67 | TDP1 (0.54) | KDM4EALDH1A1TDP1 | |
| SCHEMBL23587398 | 0.66 | ROCK2 (0.53) | ROCK2 | |
| SCHEMBL19150600 | 0.65 | MAPT (0.33) | ROCK2ALDH1A1 | |
| SCHEMBL17438010 | 0.63 | ROCK2 (0.39) | ROCK2KDM4EALDH1A1 | |
| SCHEMBL23889021 | 0.63 | CNR2 (0.33) | XDHROCK2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017123860-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-07-20 | — | — | WO | disclosed |