Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 14/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CCL5 | P13501 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4694169 | 0.87 | PKM (0.37) | PKMKMT2ACCR5CHRNB2CHRNB4 | |
| SCHEMBL4696786 | 0.77 | CCR5 (0.43) | CCR5CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4694094 | 0.77 | CHRNB2 (0.44) | CCR5CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4693316 | 0.76 | EIF4A3 (0.39) | CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL4690783 | 0.76 | CCR5 (0.47) | CCR5CCL5 | |
| SCHEMBL4690864 | 0.76 | RIPK2 (0.40) | KMT2A | |
| SCHEMBL4694116 | 0.76 | HCRTR2 (0.38) | CCR5CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4692838 | 0.75 | CCR5 (0.42) | CCR5CCL5 | |
| SCHEMBL4690459 | 0.75 | MEN1 (0.37) | KMT2ACCR5CCL5 | |
| SCHEMBL4692781 | 0.75 | PKM (0.36) | PKMKMT2ACCR5CHRNB2CHRNB4 |
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 |