Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2456941 | 0.77 | NR1H2 (0.42) | NR1H2ALDH1A1BRD4 | |
| SCHEMBL18956248 | 0.74 | NR1H2 (0.36) | NR1H2ALDH1A1 | |
| SCHEMBL12330551 | 0.73 | NR1H2 (0.48) | NR1H2CYP1A2TMIGD3CYP2C9ADORA1 | |
| SCHEMBL13189585 | 0.67 | NR1H2 (0.45) | NR1H2CYP1A2CYP2C9ALDH1A1BRD4 | |
| SCHEMBL1730410 | 0.66 | NR1H2 (0.73) | NR1H2ALDH1A1 | |
| SCHEMBL12728711 | 0.66 | NR1H2 (0.47) | NR1H2BRD4 | |
| SCHEMBL18703972 | 0.66 | NR1H2 (0.35) | NR1H2CYP1A2TMIGD3CYP2C9ADORA1 | |
| SCHEMBL11971301 | 0.65 | ALDH1A1 (0.38) | NR1H2ALDH1A1BRD4 | |
| SCHEMBL4050177 | 0.64 | NR1H2 (0.46) | NR1H2ALDH1A1BRD4 | |
| SCHEMBL5606354 | 0.64 | NR1H2 (0.64) | NR1H2KDM5BALDH1A1 |
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-1504006-A1 | 5-ETHYL-IMIDAZO[5,1-F][1,2,4]TRIAZIN-4(3H)-ONES AS PHOSPHODIESTERASE INHIBITORS | Bayer Aktiengesellschaft (DE) | 2005-02-09 | — | — | EP | disclosed |
| WO-2003093270-A1 | 5-ETHYL-IMIDAZO (5,1-F) (1,2,4,) TRIAZIN-4 (3H) -ONES AS PHOSPHODIESTERASE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2003-11-13 | — | — | WO | disclosed |