Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 5/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5234052 | 0.81 | PKM (0.46) | TDP1ALDH1A1 | |
| SCHEMBL5233398 | 0.78 | KDM4E (0.44) | CCR5RIPK1TDP1ALDH1A1CNR1 | |
| SCHEMBL4691437 | 0.77 | CCR5 (0.54) | CCR5RIPK1 | |
| SCHEMBL5235854 | 0.77 | PARP1 (0.37) | TDP1 | |
| SCHEMBL5237872 | 0.76 | CCL5 (0.40) | TDP1ALDH1A1 | |
| SCHEMBL5235643 | 0.74 | CHRNB2 (0.53) | CCR5ALDH1A1 | |
| SCHEMBL5232470 | 0.73 | CCR5 (0.54) | CCR5 | |
| SCHEMBL5239176 | 0.72 | HTT (0.43) | TDP1ALDH1A1 | |
| SCHEMBL5240008 | 0.72 | ALDH1A1 (0.48) | CCR5ALDH1A1 | |
| SCHEMBL5235073 | 0.72 | CHRNB2 (0.53) | RIPK1ALDH1A1 |
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-1761542-A2 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | claimed |
| WO-2005121145-A2 | OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | WO | claimed |