Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HK1 | P19367 | 1/20 | 0.42 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12257518 | 0.89 | ADORA1 (0.49) | HK1HKDC1HSD17B10ADORA1ADORA2A | |
| SCHEMBL12257433 | 0.88 | ADORA2A (0.45) | ADORA1ADORA2AADORA3MAOBADORA2B | |
| SCHEMBL8186492 | 0.86 | HK1 (0.43) | HK1HKDC1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL12257489 | 0.86 | ADORA2B (0.54) | KDM4EALDH1A1POLBADORA1ADORA2A | |
| SCHEMBL8184575 | 0.86 | ADORA2A (0.54) | KDM4EALDH1A1POLBADORA1ADORA2A | |
| SCHEMBL12259507 | 0.85 | ADORA2B (0.46) | HK1HKDC1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL12257272 | 0.85 | ADORA2A (0.44) | HK1HKDC1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL12257492 | 0.85 | KDM4E (0.48) | HSD17B10KDM4EALDH1A1ADORA1ADORA2A | |
| SCHEMBL12257268 | 0.85 | ADORA2A (0.49) | KDM4EALDH1A1POLBADORA1ADORA2A | |
| SCHEMBL12257432 | 0.85 | ADORA2A (0.43) | HK1HKDC1HSD17B10KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008077557-A1 | 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS | SCHWARZ PHARMA AG (DE) | 2008-07-03 | — | — | WO | disclosed |