Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 18/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 18/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4696182 | 1.00 | HCRTR1 (0.38) | HCRTR1HCRTR2KCNH2PIK3CA | |
| SCHEMBL4696224 | 0.85 | HCRTR1 (0.39) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL4809142 | 0.84 | HCRTR1 (0.41) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL4698184 | 0.83 | HCRTR1 (0.46) | HCRTR1HCRTR2 | |
| SCHEMBL4968486 | 0.82 | HCRTR1 (0.42) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL4696118 | 0.82 | HCRTR1 (0.37) | HCRTR1HCRTR2 | |
| SCHEMBL5234333 | 0.82 | HCRTR1 (0.41) | HCRTR1HCRTR2 | |
| SCHEMBL4968899 | 0.82 | HCRTR1 (0.38) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL4698004 | 0.81 | HCRTR1 (0.39) | HCRTR1HCRTR2KCNH2 | |
| SCHEMBL4696692 | 0.81 | HCRTR1 (0.42) | HCRTR1HCRTR2KCNH2 |
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-1987036-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | claimed |
| WO-2007093520-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-23 | — | — | WO | claimed |
| EP-1987036-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093520-A1 | HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-23 | — | — | WO | disclosed |