Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL5235903 | 0.92 | CCR5 (0.40) | CCR5HCRTR1HCRTR2CHRNB2CHRNB4 | |
| SCHEMBL4692727 | 0.88 | SIGMAR1 (0.40) | CCR5HCRTR1HCRTR2 | |
| SCHEMBL5231921 | 0.87 | P2RX7 (0.40) | CCR5 | |
| SCHEMBL5232784 | 0.86 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL5233676 | 0.83 | HCRTR1 (0.34) | HCRTR1HCRTR2 | |
| SCHEMBL4694489 | 0.83 | HCRTR1 (0.35) | CCR5HCRTR1HCRTR2CHRNB2CHRNB4 | |
| SCHEMBL4692004 | 0.81 | CHRNB2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL5235949 | 0.80 | KMT2A (0.34) | CCR5CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4691766 | 0.80 | CHRNB2 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL5229109 | 0.80 | CHRNB2 (0.45) | CCR5CHRNB2CHRNB4CHRNA3CHRNA7 |
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 |