Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.63 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 12/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3252966 | 0.93 | ADORA2B (0.64) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3255791 | 0.92 | ADORA2B (0.62) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3246643 | 0.92 | ADORA2B (0.66) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3250006 | 0.91 | ADORA2B (0.62) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3251648 | 0.91 | ADORA2B (0.62) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3249340 | 0.91 | ADORA2B (0.62) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3249799 | 0.91 | ADORA2B (0.64) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3250217 | 0.90 | ADORA2B (0.61) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3252165 | 0.90 | ADORA2B (0.66) | ADORA2BADORA2AADORA1ADORA3CYP1A2 | |
| SCHEMBL3255761 | 0.90 | ADORA2B (0.62) | ADORA2BADORA2AADORA1ADORA3CYP1A2 |
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-1467995-B1 | PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-05-19 | — | — | EP | claimed |