Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7161302 | 0.89 | KMO (0.43) | KMOKDM4EPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL7159559 | 0.83 | ALDH1A1 (0.47) | PTGS2PTGS1KDM4EALDH1A1GAA | |
| SCHEMBL10556563 | 0.77 | PTGS2 (0.47) | KMOPTGS2PTGS1ADORA2AADORA1 | |
| SCHEMBL7422530 | 0.76 | PDE4A (0.53) | — | |
| SCHEMBL10556612 | 0.76 | KDM4E (0.46) | KDM4EALDH1A1GAAMPIGFER | |
| SCHEMBL5801973 | 0.75 | HTR7 (0.44) | PDGFRBPDGFRA | |
| SCHEMBL10355347 | 0.74 | DCUN1D1 (0.49) | ADORA2AADORA1KDM4ETDP1 | |
| SCHEMBL6859787 | 0.74 | AMY1A (0.49) | KDM4EALDH1A1GAAGFERTDP1 | |
| SCHEMBL23778736 | 0.74 | NOTUM (0.45) | PTGS2KDM4EALDH1A1GFER | |
| SCHEMBL29008478 | 0.73 | KDM4E (0.48) | KDM4EALDH1A1GAAMPIGFER |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1358165-A1 | IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002060877-A1 | IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-08 | — | — | WO | disclosed |