Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691802 | 0.92 | CCR5 (0.48) | RAB9AKMT2AMEN1CCR5SLC6A1 | |
| SCHEMBL4694336 | 0.89 | HCRTR1 (0.36) | CCR5THRBALDH1A1 | |
| SCHEMBL3284141 | 0.87 | CCR5 (0.42) | KMT2AMEN1CCR5SLC6A1 | |
| SCHEMBL4694455 | 0.87 | CHRNB2 (0.44) | KMT2AMEN1CCR5ALDH1A1HPGD | |
| SCHEMBL4694264 | 0.86 | ALDH1A1 (0.36) | CCR5SLC6A1ALDH1A1 | |
| SCHEMBL4693059 | 0.84 | CCR5 (0.37) | KMT2AMEN1CCR5SLC6A1ALDH1A1 | |
| SCHEMBL4691301 | 0.83 | HCRTR1 (0.44) | CCR5CYP2C9CYP2C19LMNAHTT | |
| SCHEMBL4692078 | 0.83 | CCR5 (0.40) | CCR5SLC6A1 | |
| SCHEMBL4693208 | 0.83 | CCR5 (0.42) | CCR5 | |
| SCHEMBL4694309 | 0.83 | HCRTR1 (0.39) | — |
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 |