Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | PRKAB2 | O43741 | 4/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 4/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 4/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 4/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 4/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 4/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 4/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454471 | 0.92 | KDM4E (0.42) | SMN1; SMN2GAAKDM4EALDH1A1ROCK2 | |
| SCHEMBL17452713 | 0.88 | KDM4E (0.39) | SMN1; SMN2GAAKDM4EALDH1A1ROCK2 | |
| SCHEMBL19997286 | 0.86 | SMN1; SMN2 (0.60) | SMN1; SMN2GAAKDM4EALDH1A1PRKAB2 | |
| SCHEMBL20229638 | 0.84 | THRB (0.35) | SMN1; SMN2GAAKDM4EALDH1A1HRH3 | |
| SCHEMBL19902336 | 0.83 | GAA (0.38) | SMN1; SMN2GAAKDM4EALDH1A1ROCK2 | |
| SCHEMBL19902561 | 0.83 | SMN1; SMN2 (0.46) | SMN1; SMN2GAAKDM4EALDH1A1HRH3 | |
| SCHEMBL21947322 | 0.83 | KDM4E (0.49) | SMN1; SMN2GAAKDM4EALDH1A1HRH3 | |
| SCHEMBL19902683 | 0.83 | HRH3 (0.42) | SMN1; SMN2GAAKDM4EALDH1A1ROCK2 | |
| SCHEMBL19902320 | 0.82 | GAA (0.46) | SMN1; SMN2GAAKDM4EALDH1A1HRH3 | |
| SCHEMBL17324797 | 0.79 | KDM4E (0.57) | SMN1; SMN2GAAKDM4EALDH1A1PRKAB2 |
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 |