Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902576 | 0.90 | ROCK2 (0.48) | ROCK2KDM4EDRD4DRD3TP53 | |
| SCHEMBL23889169 | 0.90 | RAB9A (0.43) | HTTROCK2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL23889078 | 0.87 | ROCK2 (0.39) | HTTROCK2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL17454379 | 0.86 | MAPT (0.42) | ROCK2ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL19902550 | 0.84 | ROCK2 (0.36) | HTTROCK2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL19902678 | 0.84 | ROCK2 (0.38) | HTTROCK2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL17437897 | 0.83 | IP6K1 (0.47) | ROCK2ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL19902684 | 0.83 | ROCK2 (0.36) | ROCK2ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL19902552 | 0.83 | ROCK2 (0.36) | ROCK2ALDH1A1KDM4EHSD17B10TSHR | |
| SCHEMBL23889087 | 0.83 | ROCK2 (0.43) | ROCK2ALDH1A1KDM4EHSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |