Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16237622 | 0.91 | KMO (0.41) | KMOVCPADORA2AABL1BCR | |
| SCHEMBL16237675 | 0.82 | ADORA2A (0.39) | VCPADORA2AKMT2APTGDR2ECE1 | |
| SCHEMBL16237698 | 0.81 | ADORA2A (0.33) | KMOADORA2AECE1EIF4EHDAC3 | |
| SCHEMBL16237062 | 0.81 | ECE1 (0.34) | ADORA2AECE1EIF4E | |
| SCHEMBL17874029 | 0.80 | SCN9A (0.37) | KMOADORA2AABL1KDM4CTRPM4 | |
| SCHEMBL16237522 | 0.80 | HDAC3 (0.36) | KMOADORA2AKMT2ACHEK2ECE1 | |
| SCHEMBL16237487 | 0.79 | HDAC3 (0.43) | ADORA2AEIF4ETRPM4HDAC3HDAC1 | |
| SCHEMBL16237173 | 0.79 | CTSA (0.41) | ADORA2APTGDR2ECE1EIF4ETRPM4 | |
| SCHEMBL17064250 | 0.79 | HCRTR1 (0.39) | ADORA2AKMT2AECE1 | |
| SCHEMBL16236743 | 0.77 | ADORA2A (0.39) | ADORA2AABL1BCRPTGDR2ECE1 |
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 |