Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ACACB | O00763 | 3/20 | 0.40 |
| ▸ | ACACA | Q13085 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3171802 | 0.99 | ADORA2A (0.41) | ADORA2AADORA1ADORA3ADORA2BHRH3 | |
| SCHEMBL3171546 | 0.92 | ADORA2A (0.40) | ADORA2AADORA1ADORA3ADORA2BHRH3 | |
| SCHEMBL3174594 | 0.89 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL3166225 | 0.89 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL3162937 | 0.88 | ADORA2A (0.46) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL3175769 | 0.87 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL3169774 | 0.87 | ADORA2A (0.43) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL3155892 | 0.86 | ADORA2A (0.46) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL3257829 | 0.86 | KDM4E (0.52) | ADORA2AADORA1ADORA3KDM4EALDH1A1 | |
| SCHEMBL3171731 | 0.86 | KDM4E (0.52) | ADORA2AADORA1ADORA3KDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |