Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 8/20 | 0.38 |
| ▸ | CCL5 | P13501 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4695866 | 0.84 | CCR5 (0.36) | KMT2AALDH1A1GAACCR5CCL5 | |
| SCHEMBL4692061 | 0.84 | CCR5 (0.37) | ALDH1A1CCR5CCL5PIK3CDCYP2C19 | |
| SCHEMBL4695377 | 0.83 | CCR5 (0.37) | CCR5CCL5CYP2C9CYP2C19HDAC1 | |
| SCHEMBL4694111 | 0.81 | KMT2A (0.34) | KMT2AALDH1A1CCR5KDM4EHDAC1 | |
| SCHEMBL4696881 | 0.81 | CCL5 (0.38) | ALDH1A1CCR5CCL5 | |
| SCHEMBL4695087 | 0.80 | CCR5 (0.34) | CCR5CCL5 | |
| SCHEMBL4692781 | 0.80 | PKM (0.36) | KMT2AALDH1A1CCR5CCL5MEN1 | |
| SCHEMBL4690185 | 0.78 | POLB (0.40) | KMT2AALDH1A1CCR5CCL5POLB | |
| SCHEMBL4693235 | 0.78 | LMNA (0.40) | ALDH1A1CCR5CCL5 | |
| SCHEMBL4694498 | 0.77 | CCR5 (0.37) | CCR5CCL5CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | claimed |
| 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 |
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |