Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 12/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16237619 | 0.93 | CYP2D6 (0.36) | KCNH2CDC7DBF4CYP2D6CCR3 | |
| SCHEMBL16237458 | 0.87 | KCNH2 (0.35) | KCNH2CDC7DBF4CYP2D6CCR3 | |
| SCHEMBL16237122 | 0.86 | CYP2D6 (0.35) | KCNH2CDC7DBF4CYP2D6CCR3 | |
| SCHEMBL16237160 | 0.86 | KCNH2 (0.35) | KCNH2 | |
| SCHEMBL16237808 | 0.85 | CYP2D6 (0.36) | KCNH2CYP2D6CCR3HCRTR1HCRTR2 | |
| SCHEMBL16237558 | 0.85 | CYP2D6 (0.38) | KCNH2CDC7DBF4CYP2D6CCR3 | |
| SCHEMBL16236918 | 0.84 | CYP2D6 (0.38) | KCNH2CDC7DBF4CYP2D6CCR3 | |
| SCHEMBL16237555 | 0.83 | CYP2D6 (0.41) | KCNH2CDC7DBF4CYP2D6CCR3 | |
| SCHEMBL16237752 | 0.83 | CYP2D6 (0.36) | KCNH2CDC7DBF4CYP2D6CCR3 | |
| SCHEMBL16237164 | 0.83 | KCNH2 (0.39) | KCNH2CDC7DBF4CYP2D6CCR3 |
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-2997032-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2016-03-23 | — | — | EP | claimed |
| WO-2014184328-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-20 | — | — | WO | claimed |
| EP-2997032-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2016-03-23 | — | — | EP | disclosed |
| WO-2014184328-A1 | 6-BRIDGED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2014-11-20 | — | — | WO | disclosed |