Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3165279 | 0.88 | CYP1A2 (0.43) | ADORA2AADORA1ADORA2BADORA3CYP1A2 | |
| SCHEMBL3166495 | 0.87 | SLC1A2 (0.44) | ADORA2AADORA1ADORA2BADORA3LMNA | |
| SCHEMBL3177057 | 0.87 | AURKA (0.41) | HCAR2ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL3175769 | 0.86 | ADORA2A (0.45) | ADORA2AADORA1ADORA2BADORA3LMNA | |
| SCHEMBL3164671 | 0.85 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BADORA3CYP1A2 | |
| SCHEMBL3155892 | 0.85 | ADORA2A (0.46) | ADORA2AADORA1ADORA2BADORA3LMNA | |
| SCHEMBL3162937 | 0.85 | ADORA2A (0.46) | ADORA2AADORA1ADORA2BADORA3LMNA | |
| SCHEMBL3174104 | 0.84 | ADORA2A (0.41) | ADORA2AADORA1ADORA2BADORA3CYP1A2 | |
| SCHEMBL3166225 | 0.84 | ADORA2A (0.45) | ADORA2AADORA1ADORA2BADORA3LMNA | |
| SCHEMBL3174594 | 0.84 | ADORA2A (0.45) | ADORA2AADORA1ADORA2BADORA3LMNA |
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 |