Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 3/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | TYMP | P19971 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7745104 | 0.92 | PSMB5 (0.33) | PSMB5PTGS2TYMPTDP1PSMB1 | |
| SCHEMBL9349977 | 0.85 | TYMP (0.31) | TYMP | |
| SCHEMBL236668 | 0.78 | — | — | |
| SCHEMBL18663189 | 0.78 | — | — | |
| SCHEMBL18663188 | 0.78 | — | — | |
| SCHEMBL18663187 | 0.78 | — | — | |
| SCHEMBL11105095 | 0.78 | — | — | |
| SCHEMBL27588117 | 0.77 | — | — | |
| SCHEMBL2449071 | 0.77 | TYMP (0.31) | TYMP | |
| SCHEMBL5327628 | 0.75 | TYMP (0.33) | TYMPTDP1ALDH1A1CYP3A4 |
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-1366050-A2 | CONDENSED PYRAZINDIONE DERIVATIVES AS PDE INHIBITORS | Lilly Icos LLC (US) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002038563-A2 | CONDENSED PYRAZINDIONE DERIVATIVES AS PDE INHIBITORS | LILLY ICOS LLC (US) | 2002-05-16 | — | — | WO | disclosed |