Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.86 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.86 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5411870 | 0.93 | ADORA2B (1.00) | ADORA2BALDH1A1KDM4EMAPTTHRB | |
| SCHEMBL7037071 | 0.88 | ADORA2B (0.67) | ADORA2BALDH1A1KDM4EMAPTTHRB | |
| SCHEMBL7034529 | 0.78 | ADORA2B (0.55) | ADORA2BALDH1A1KDM4EMAPTTHRB | |
| SCHEMBL1319913 | 0.77 | ALDH1A1 (1.00) | ADORA2BALDH1A1KDM4EMAPTTHRB | |
| SCHEMBL7034258 | 0.76 | ADORA2B (0.56) | ADORA2BALDH1A1KDM4EMAPTTHRB | |
| SCHEMBL9765909 | 0.76 | ADORA2B (1.00) | ADORA2BALDH1A1KDM4EHPGDBLM | |
| SCHEMBL7030152 | 0.75 | ADORA2B (0.70) | ADORA2BALDH1A1HPGDSMN1; SMN2ADORA2A | |
| SCHEMBL19666778 | 0.75 | ALDH1A1 (0.68) | ADORA2BALDH1A1KDM4EMAPTTHRB | |
| SCHEMBL7034532 | 0.74 | POLB (0.58) | ADORA2BALDH1A1MAPTHSD17B10SMN1; SMN2 | |
| SCHEMBL17626266 | 0.73 | ADORA2B (0.67) | ADORA2BALDH1A1HPGDSMN1; SMN2ADORA2A |
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-0956855-B1 | Immunosuppressive effects of 8 substituted xanthine derivatives | LEUVEN K U RES & DEV (BE) | 2003-03-12 | — | — | EP | claimed |