Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3171920 | 0.91 | ADORA1 (0.47) | ADORA3ADORA1ADORA2AADORA2BALDH1A1 | |
| SCHEMBL3175828 | 0.91 | P2RY12 (0.51) | ADORA3ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL3163125 | 0.90 | NPC1 (0.47) | ADORA3ADORA1ADORA2AADORA2BALDH1A1 | |
| SCHEMBL3164709 | 0.90 | NPC1 (0.47) | ADORA3ADORA1ADORA2AADORA2BALDH1A1 | |
| SCHEMBL3260230 | 0.90 | ADORA3 (0.46) | ADORA3ADORA1ADORA2AADORA2BALDH1A1 | |
| SCHEMBL3163746 | 0.90 | ALDH1A1 (0.50) | ADORA3ADORA1ADORA2AADORA2BALDH1A1 | |
| SCHEMBL3162425 | 0.90 | EGFR (0.53) | ALDH1A1LMNASMN1; SMN2KDM4EMAPT | |
| SCHEMBL3169937 | 0.90 | ALDH1A1 (0.48) | ADORA3ADORA1ADORA2AADORA2BALDH1A1 | |
| SCHEMBL3165639 | 0.89 | ADORA3 (0.43) | ADORA3ADORA1ADORA2AADORA2BALDH1A1 | |
| SCHEMBL3176144 | 0.89 | ALDH1A1 (0.46) | ADORA3ADORA1ADORA2AADORA2BALDH1A1 |
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 |