Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL10429349 | 0.86 | PDE4A (0.43) | PDE4APDE4BPDE4CPDE4DRAF1 | |
| SCHEMBL10429318 | 0.85 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL10429360 | 0.80 | PDE3B (0.50) | PARP1ALDH1A1KDM4ENPC1HPGD | |
| SCHEMBL7165524 | 0.77 | GRM5 (0.41) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL10429297 | 0.73 | NPSR1 (0.47) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10429345 | 0.71 | TDO2 (0.51) | ALDH1A1RAF1MAPK9 | |
| SCHEMBL19153242 | 0.68 | PDE3B (0.40) | PARP1ALDH1A1KDM4EMAPK1HPGD | |
| SCHEMBL873985 | 0.67 | TNKS (0.51) | PDE4APDE4BPDE4CPDE4DPARP1 | |
| SCHEMBL13945492 | 0.67 | ALDH1A1 (0.48) | PARP1PARP3ALDH1A1KDM4ENPC1 | |
| SCHEMBL3782977 | 0.66 | ALDH1A1 (0.52) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0274654-A2 | 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1988-07-20 | — | — | EP | claimed |
| US-4920119-A | XANTHINE OXIDASE INHIBITORS; CONTROL OR PREVENTION OF GOUT OR ISCHEMIA | HOFFMANN-LA ROCHE INC. (US) | 1990-04-24 | — | — | US | disclosed |
| EP-0274654-A2 | 1,2,3-Triazin-4(3H)-one derivatives, process for their preparation and medicaments containing them | F. HOFFMANN-LA ROCHE AG (CH) | 1988-07-20 | — | — | EP | disclosed |