Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 10/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CCL5 | P13501 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4695087 | 0.84 | CCR5 (0.34) | CCR5CCL5 | |
| SCHEMBL4692781 | 0.82 | PKM (0.36) | CCR5CYP2C19CCL5CHRNB2CHRNB4 | |
| SCHEMBL4695377 | 0.81 | CCR5 (0.37) | CCR5CYP2C19CCL5CHRNB2CHRNB4 | |
| SCHEMBL4692061 | 0.79 | CCR5 (0.37) | CCR5CYP2C19CCL5 | |
| SCHEMBL4694094 | 0.79 | CHRNB2 (0.44) | CCR5CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4694111 | 0.79 | KMT2A (0.34) | CCR5SIGMAR1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL4694116 | 0.78 | HCRTR2 (0.38) | CCR5CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4695010 | 0.77 | KMT2A (0.38) | CCR5CYP2C19CCL5 | |
| SCHEMBL4695866 | 0.77 | CCR5 (0.36) | CCR5CCL5 | |
| SCHEMBL4695968 | 0.76 | LMNA (0.44) | CCR5CCL5 |
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 |