Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA4 | P43681 | 3/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4694455 | 0.87 | CHRNB2 (0.44) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4693659 | 0.83 | CHRNB2 (0.47) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4689903 | 0.81 | P2RX7 (0.41) | CCR5ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL4691928 | 0.81 | MAPK1 (0.41) | ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL4690512 | 0.81 | ALDH1A1 (0.43) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4695594 | 0.80 | HCRTR1 (0.36) | CHRNA4CCR5HCRTR1HCRTR2 | |
| SCHEMBL4691802 | 0.80 | CCR5 (0.48) | CCR5ALDH1A1MEN1KMT2AHCRTR1 | |
| SCHEMBL4691301 | 0.80 | HCRTR1 (0.44) | CCR5HCRTR1HCRTR2 | |
| SCHEMBL4696365 | 0.79 | GRM5 (0.38) | CCR5ALDH1A1HCRTR1HCRTR2PARP1 | |
| SCHEMBL4693059 | 0.79 | CCR5 (0.37) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 |
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 |