Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.67 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693043 | 0.89 | CCR5 (0.56) | CCR5SMYD2SMN1; SMN2DRD3HCRTR1 | |
| SCHEMBL4694000 | 0.88 | CCR5 (0.57) | CCR5SMYD2 | |
| SCHEMBL4972691 | 0.86 | CCL5 (0.55) | CCR5 | |
| SCHEMBL4695602 | 0.86 | CCR5 (0.52) | CCR5SMYD2HCRTR1HCRTR2 | |
| SCHEMBL4691528 | 0.85 | CCR5 (0.52) | CCR5KDM4EHTR1AHTR2ADRD3 | |
| SCHEMBL4692636 | 0.84 | CCR5 (0.60) | CCR5HCRTR1HCRTR2 | |
| SCHEMBL4691509 | 0.82 | CCR5 (0.51) | CCR5SMYD2SMN1; SMN2DRD3HCRTR1 | |
| SCHEMBL4691639 | 0.81 | SMYD2 (0.48) | CCR5SMYD2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4694121 | 0.80 | CCR5 (1.00) | CCR5 | |
| SCHEMBL4694117 | 0.80 | CCR5 (1.00) | CCR5 |
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-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | 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 |