Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
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 | 0.89 | EPHX2 (0.35) | SLC6A9ROCK2SCN8ASCN10AEPHX2 | |
| SCHEMBL20646954 | 0.88 | LMNA (0.38) | KDM4EALDH1A1TDP1SMN1; SMN2LMNA | |
| SCHEMBL20646868 | 0.88 | SLC6A9 (0.34) | SLC6A9ROCK2EPHX2ACACBPLAT | |
| SCHEMBL20647111 | 0.88 | CNR2 (0.39) | ROCK2 | |
| SCHEMBL19150259 | 0.81 | ALDH1A1 (0.36) | KDM4EALDH1A1TDP1SMN1; SMN2KMT2A | |
| SCHEMBL23889037 | 0.81 | ROCK2 (0.41) | ROCK2PLAT | |
| SCHEMBL19150600 | 0.80 | MAPT (0.33) | SLC6A9ROCK2ALDH1A1 | |
| SCHEMBL19128573 | 0.79 | CNR2 (0.39) | ROCK2KDM4ELMNAKMT2A | |
| SCHEMBL19128175 | 0.79 | KDM4E (0.45) | KDM4EALDH1A1TDP1SMN1; SMN2LMNA | |
| SCHEMBL23889014 | 0.78 | ROCK2 (0.43) | ROCK2 |
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-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 |