Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| SCHEMBL16237558 | 0.94 | CYP2D6 (0.38) | CYP2D6CCR3KCNH2HDAC3HDAC1 | |
| SCHEMBL16237555 | 0.92 | CYP2D6 (0.41) | CYP2D6CCR3KCNH2HDAC3HDAC1 | |
| SCHEMBL16237619 | 0.91 | CYP2D6 (0.36) | CYP2D6CCR3KCNH2HDAC3HDAC1 | |
| SCHEMBL16237752 | 0.91 | CYP2D6 (0.36) | CYP2D6CCR3KCNH2HDAC3HDAC1 | |
| SCHEMBL16237685 | 0.91 | KCNH2 (0.38) | CYP2D6CCR3KCNH2HDAC3HDAC1 | |
| SCHEMBL16237518 | 0.91 | KCNH2 (0.37) | CYP2D6CCR3KCNH2HDAC3HDAC1 | |
| SCHEMBL16237610 | 0.90 | CYP2D6 (0.37) | CYP2D6CCR3KCNH2HDAC3HDAC1 | |
| SCHEMBL16236734 | 0.90 | KCNH2 (0.37) | CYP2D6CCR3KCNH2HDAC3HDAC1 | |
| SCHEMBL16237298 | 0.90 | KCNH2 (0.36) | CYP2D6CCR3KCNH2HDAC3HDAC1 | |
| SCHEMBL16237358 | 0.90 | KCNH2 (0.36) | CYP2D6CCR3KCNH2HDAC3HDAC1 |
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-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 |