Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 5/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | HAVCR2 | Q8TDQ0 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8127673 | 0.82 | CA12 (0.49) | CHEK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL4249802 | 0.80 | PDE3B (0.49) | CHEK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8129439 | 0.77 | HAVCR2 (0.39) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8136861 | 0.77 | CA12 (0.54) | CHEK1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL8127783 | 0.77 | MAPT (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL8137430 | 0.76 | HAVCR2 (0.53) | CHEK1HAVCR2 | |
| SCHEMBL8134411 | 0.76 | PARP1 (0.45) | CHEK1PDE3BPDE3APDE5APDE1A | |
| SCHEMBL8137817 | 0.76 | CHEK1 (0.49) | CHEK1HAVCR2 | |
| SCHEMBL8143260 | 0.76 | GPR17 (0.36) | CHEK1GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL8137886 | 0.76 | CHEK1 (0.56) | CHEK1DAOALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0760819-B1 | TRICYCLIC DICARBONYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2000-07-19 | — | — | EP | claimed |
| EP-0760819-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | claimed |
| WO-1995032205-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1995-11-30 | — | — | WO | claimed |
| EP-0760819-B1 | TRICYCLIC DICARBONYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2000-07-19 | — | — | EP | disclosed |
| US-5688803-A | BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |
| EP-0760819-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |
| WO-1995032205-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1995-11-30 | — | — | WO | disclosed |