Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19128038 | 0.81 | EPHX2 (0.35) | MAPTROCK2SLC6A9 | |
| SCHEMBL23889040 | 0.80 | SLC6A9 (0.35) | ALDH1A1ROCK2SLC6A9 | |
| SCHEMBL20646868 | 0.77 | SLC6A9 (0.34) | ROCK2SLC6A9 | |
| SCHEMBL19150259 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAPK1PPARDPPARA | |
| SCHEMBL19128573 | 0.70 | CNR2 (0.39) | ROCK2 | |
| SCHEMBL19128175 | 0.70 | KDM4E (0.45) | MAPTALDH1A1MAPK1 | |
| SCHEMBL21948588 | 0.69 | CNR2 (0.38) | ROCK2 | |
| SCHEMBL20647111 | 0.68 | CNR2 (0.39) | ROCK2 | |
| SCHEMBL20646954 | 0.68 | LMNA (0.38) | MAPTALDH1A1MAPK1 | |
| SCHEMBL19127945 | 0.68 | KDM4E (0.40) | ALDH1A1 |
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 |