Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.67 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.67 |
| ▸ | PI4KA | P42356 | 1/20 | 0.67 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.67 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.67 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.67 |
| ▸ | ADA | P00813 | 4/20 | 0.57 |
| ▸ | PDE2A | O00408 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | PDE4A | P27815 | 1/20 | 0.57 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.57 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL4813561 | 0.84 | ADORA2A (0.75) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| Hydrochloric Acid SCHEMBL9193025 | 0.83 | ADORA2A (0.73) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL754007 | 0.80 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL28731072 | 0.80 | ADORA2A (0.69) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL22474983 | 0.80 | ADORA2A (0.69) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL24205121 | 0.79 | ADORA2A (0.77) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL18521145 | 0.79 | ADORA2A (0.77) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| Hydrochloric Acid SCHEMBL30881556 | 0.79 | ADORA2A (0.96) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL19049967 | 0.78 | ADORA2A (0.50) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL8955888 | 0.78 | ADORA2A (0.75) | ADORA2AADORA1ADORA2BPI4KAPI4K2B |
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-2008134578-A2 | SYNTHESIS OF OPTICALLY ACTIVE RADIO-LABELED REVERSE TRANSCRIPTASE INHIBITORS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF (US) | 2008-11-06 | — | — | WO | disclosed |