Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL3177049 | 1.00 | HTT (0.46) | HTTALDH1A1LMNAADORA2BADORA3 | |
| SCHEMBL3161074 | 0.89 | ADORA2B (0.45) | ALDH1A1LMNAADORA2BADORA3ADORA2A | |
| SCHEMBL3170804 | 0.88 | ANXA2 (0.52) | HTTALDH1A1LMNAMAPK1USP2 | |
| SCHEMBL3170808 | 0.88 | ANXA2 (0.52) | HTTALDH1A1LMNAMAPK1USP2 | |
| SCHEMBL3173228 | 0.87 | ADORA1 (0.47) | ALDH1A1LMNAADORA2BADORA3ADORA2A | |
| SCHEMBL3175769 | 0.86 | ADORA2A (0.45) | ALDH1A1LMNAADORA2BADORA3ADORA2A | |
| SCHEMBL3165340 | 0.85 | ADORA2B (0.49) | ALDH1A1LMNAADORA2BADORA3ADORA2A | |
| SCHEMBL3171345 | 0.85 | ADORA2B (0.49) | ALDH1A1LMNAADORA2BADORA3ADORA2A | |
| SCHEMBL3164833 | 0.85 | ADORA2B (0.49) | ALDH1A1LMNAADORA2BADORA3ADORA2A | |
| SCHEMBL3155892 | 0.85 | ADORA2A (0.46) | ALDH1A1LMNAADORA2BADORA3ADORA2A |
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 |