Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3285287 | 0.91 | TP53 (0.43) | TP53SMN1; SMN2LMNAALDH1A1TSHR | |
| SCHEMBL4691951 | 0.85 | SMN1; SMN2 (0.39) | TP53SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL3283591 | 0.84 | CCL5 (0.51) | — | |
| SCHEMBL4691648 | 0.84 | TP53 (0.43) | TP53SMN1; SMN2LMNAALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL5534986 | 0.79 | CCL5 (0.51) | — | |
| SCHEMBL3285294 | 0.76 | CCR5 (0.38) | SMN1; SMN2LMNAALDH1A1HTTCYP2C19 | |
| SCHEMBL3282221 | 0.75 | CCR5 (0.51) | TP53SMN1; SMN2LMNAALDH1A1TSHR | |
| SCHEMBL4694262 | 0.72 | SMN1; SMN2 (0.48) | TP53SMN1; SMN2LMNAALDH1A1TSHR | |
| SCHEMBL4694331 | 0.71 | TP53 (0.47) | TP53SMN1; SMN2LMNAALDH1A1TSHR | |
| SCHEMBL3281859 | 0.71 | CCR5 (0.52) | TP53SMN1; SMN2LMNAALDH1A1TSHR |
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 4 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-A2 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | claimed |
| WO-2005121145-A2 | OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | WO | 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 |