Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 4/20 | 0.47 |
| ▸ | CCL5 | P13501 | 4/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4693061 | 0.86 | CCR5 (0.51) | CCR5CCL5ALDH1A1TSHR | |
| Cyclopentane SCHEMBL4694323 | 0.85 | CCR5 (0.54) | CCR5CCL5 | |
| SCHEMBL4692082 | 0.84 | CCR5 (0.54) | CCR5CCL5TSHR | |
| SCHEMBL4693210 | 0.84 | CCR5 (0.56) | CCR5CCL5 | |
| SCHEMBL4692852 | 0.83 | CCR5 (0.53) | CCR5CCL5ALDH1A1HPGDL3MBTL1 | |
| SCHEMBL4691540 | 0.83 | CCR5 (0.56) | CCR5CCL5ALDH1A1HPGDKDM4E | |
| SCHEMBL5233398 | 0.79 | KDM4E (0.44) | CCR5CCL5HTR1ALMNAMAPK1 | |
| SCHEMBL4691437 | 0.77 | CCR5 (0.54) | CCR5CCL5CYP2C19RIPK1 | |
| SCHEMBL4691767 | 0.77 | CHRNB2 (0.54) | CCR5CCL5L3MBTL1 | |
| SCHEMBL4692279 | 0.75 | CCR5 (0.44) | CCR5CCL5MAPK1 |
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 |