Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.40 |
| ▸ | SKP1 | P63208 | 1/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3175828 | 0.90 | P2RY12 (0.51) | ALDH1A1MAPTADORA3P2RY12 | |
| SCHEMBL3163144 | 0.89 | ADORA3 (0.46) | ALDH1A1MAPTADORA3ADORA2BADORA1 | |
| SCHEMBL3171920 | 0.86 | ADORA1 (0.47) | ALDH1A1ADORA3ADORA2BADORA1ADORA2A | |
| SCHEMBL3163125 | 0.85 | NPC1 (0.47) | ALDH1A1MAPTADORA3ADORA2BADORA1 | |
| SCHEMBL3164709 | 0.85 | NPC1 (0.47) | ALDH1A1MAPTADORA3ADORA2BADORA1 | |
| SCHEMBL3260230 | 0.85 | ADORA3 (0.46) | ALDH1A1ADORA3ADORA2BADORA1ADORA2A | |
| SCHEMBL3163746 | 0.85 | ALDH1A1 (0.50) | ALDH1A1MAPTADORA3ADORA2BADORA1 | |
| SCHEMBL3162425 | 0.85 | EGFR (0.53) | ALDH1A1MAPT | |
| SCHEMBL3169937 | 0.85 | ALDH1A1 (0.48) | ALDH1A1ADORA3ADORA2BADORA1ADORA2A | |
| SCHEMBL3165639 | 0.84 | ADORA3 (0.43) | ALDH1A1ADORA3ADORA2BADORA1ADORA2A |
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 |