Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 16/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL23888984 | 0.84 | CNR2 (0.35) | — | |
| SCHEMBL20646954 | 0.81 | LMNA (0.38) | LMNAALDH1A1 | |
| SCHEMBL19128175 | 0.81 | KDM4E (0.45) | LMNAALDH1A1 | |
| SCHEMBL20646956 | 0.78 | LMNA (0.36) | LMNAALDH1A1 | |
| SCHEMBL19150308 | 0.70 | ROCK2 (0.33) | DRD2DRD4DRD3 | |
| SCHEMBL23889040 | 0.69 | SLC6A9 (0.35) | LMNAALDH1A1 | |
| SCHEMBL19128038 | 0.68 | EPHX2 (0.35) | LMNAL3MBTL1 | |
| SCHEMBL20647111 | 0.67 | CNR2 (0.39) | — | |
| SCHEMBL20646868 | 0.67 | SLC6A9 (0.34) | HTR2A | |
| SCHEMBL23889014 | 0.66 | ROCK2 (0.43) | — |
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-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |