Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 6/20 | 0.39 |
| ▸ | PDE4A | P27815 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.39 |
| ▸ | ACACB | O00763 | 4/20 | 0.38 |
| ▸ | DDX3X | O00571 | 1/20 | 0.37 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | CPT2 | P23786 | 2/20 | 0.35 |
| ▸ | CPT1A | P50416 | 2/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | TYK2 | P29597 | 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 | |
|---|---|---|---|---|
| SCHEMBL20229842 | 0.94 | ROCK2 (0.38) | PDE4DPDE4APDE4BPDE4CACACB | |
| SCHEMBL17454408 | 0.89 | ACACB (0.41) | ACACBRIPK2FGFR3GRM5TYK2 | |
| SCHEMBL17438043 | 0.87 | ACACB (0.38) | PDE4DPDE4APDE4BPDE4CACACB | |
| SCHEMBL23889073 | 0.85 | PARP10 (0.38) | ROCK2 | |
| SCHEMBL17452641 | 0.85 | ACACB (0.41) | PDE4DACACBRIPK2FGFR1FGFR3 | |
| SCHEMBL17454511 | 0.82 | KAT2B (0.39) | ACACBRIPK2ROCK2FGFR1FGFR3 | |
| SCHEMBL21947217 | 0.82 | CYP1A2 (0.39) | ROCK2 | |
| SCHEMBL20229850 | 0.81 | HRH3 (0.38) | ROCK2 | |
| SCHEMBL23889098 | 0.81 | ROCK2 (0.41) | ROCK2 | |
| SCHEMBL17437899 | 0.79 | KAT2B (0.39) | PDE4BACACBRIPK2ROCK2FGFR1 |
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 |