Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | EIF4E | P06730 | 2/20 | 0.30 |
| ▸ | KMO | O15229 | 1/20 | 0.30 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16237062 | 0.90 | ECE1 (0.34) | ADORA2AECE1EIF4ECTSA | |
| SCHEMBL16237173 | 0.88 | CTSA (0.41) | ADORA2AECE1HDAC3HDAC1HDAC6 | |
| SCHEMBL16237487 | 0.84 | HDAC3 (0.43) | ADORA2AHDAC3HDAC1HDAC6EIF4E | |
| SCHEMBL16237675 | 0.83 | ADORA2A (0.39) | ADORA2AECE1CTSA | |
| SCHEMBL17064231 | 0.82 | KMT2A (0.40) | ADORA2AECE1HDAC3HDAC1HDAC6 | |
| SCHEMBL16237522 | 0.81 | HDAC3 (0.36) | ADORA2AECE1HDAC3HDAC1HDAC6 | |
| SCHEMBL16237804 | 0.81 | KMO (0.38) | ADORA2AECE1HDAC3HDAC1HDAC6 | |
| SCHEMBL16237622 | 0.80 | KMO (0.41) | ADORA2AEIF4EKMO | |
| SCHEMBL17064250 | 0.80 | HCRTR1 (0.39) | ADORA2AECE1CTSA | |
| SCHEMBL16236743 | 0.79 | ADORA2A (0.39) | ADORA2AECE1HDAC3HDAC1HDAC6 |
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 |