Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 18/20 | 0.42 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.37 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.37 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | CACNG7 | P62955 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.37 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.37 |
| ▸ | CACNG1 | Q06432 | 1/20 | 0.37 |
| ▸ | CACNB2 | Q08289 | 1/20 | 0.37 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | CACNA1E | Q15878 | 1/20 | 0.37 |
| ▸ | CACNA2D4 | Q7Z3S7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4691209 | 0.92 | KCNH2 (0.44) | KCNH2CCR5 | |
| SCHEMBL4691829 | 0.90 | KCNH2 (0.42) | KCNH2CCR5 | |
| SCHEMBL4695523 | 0.89 | KCNH2 (0.48) | KCNH2CCR5 | |
| SCHEMBL4696690 | 0.89 | KCNH2 (0.44) | KCNH2CCR5 | |
| SCHEMBL4693529 | 0.89 | KCNH2 (0.44) | KCNH2CCR5 | |
| SCHEMBL4695409 | 0.86 | CCR5 (0.49) | KCNH2CCR5 | |
| SCHEMBL4694059 | 0.85 | CCR5 (0.46) | KCNH2CCR5 | |
| SCHEMBL4695878 | 0.84 | KCNH2 (0.48) | KCNH2CCR5 | |
| SCHEMBL4691118 | 0.84 | CCR5 (0.45) | KCNH2CCR5 | |
| SCHEMBL4696643 | 0.84 | KCNH2 (0.48) | KCNH2CCR5 |
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 1 patent. 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 |