Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 4/20 | 0.51 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | EPHB3 | P54753 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL19902678 | 0.85 | ROCK2 (0.38) | ROCK2EPHB3KCNH2DRD4DRD3 | |
| SCHEMBL20646762 | 0.84 | ROCK2 (0.49) | ROCK2PFKFB3HDAC4KLKB1EPHB3 | |
| SCHEMBL19128224 | 0.84 | ROCK2 (0.53) | ROCK2PFKFB3HDAC4KLKB1EPHB3 | |
| SCHEMBL23889087 | 0.84 | ROCK2 (0.43) | ROCK2EPHB3KCNH2DRD4DRD3 | |
| SCHEMBL19902388 | 0.81 | HTT (0.44) | ROCK2EPHB3KCNH2DRD4DRD3 | |
| SCHEMBL19902576 | 0.79 | ROCK2 (0.48) | ROCK2DRD4DRD3PDGFRAKDM4E | |
| SCHEMBL19902549 | 0.79 | MET (0.38) | ROCK2HDAC4KCNH2IDH1 | |
| SCHEMBL23889078 | 0.78 | ROCK2 (0.39) | ROCK2KCNH2DRD4DRD3KDM4E | |
| SCHEMBL19902550 | 0.78 | ROCK2 (0.36) | ROCK2EPHB3KCNH2DRD4DRD3 | |
| SCHEMBL31487840 | 0.75 | ROCK2 (0.42) | ROCK2HDAC4EPHB3DRD4DRD3 |
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 |