Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23162575 | 0.76 | ADORA2A (0.51) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL930823 | 0.73 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL7092230 | 0.71 | ALDH1A1 (0.51) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL30353576 | 0.70 | ALDH1A1 (0.58) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL1554000 | 0.69 | MAPT (0.58) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL3268210 | 0.67 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4456961 | 0.65 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL929118 | 0.65 | ADORA2A (0.63) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL30353595 | 0.65 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL28736302 | 0.65 | SMN1; SMN2 (0.71) | ADORA2AALDH1A1CYP2D6SMN1; SMN2 |
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-4038065-A1 | SUBSTITUTED PYRIMIDINE FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2022-08-10 | — | — | EP | disclosed |
| CN-114450277-A | Substituted pyrimidines for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2022-05-06 | — | — | CN | disclosed |