Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6555742 | 0.92 | ADORA2B (0.38) | ADORA2BADORA3KDM4EALDH1A1PKM | |
| SCHEMBL9152003 | 0.85 | ADORA2B (0.51) | ADORA2BADORA3KDM4EADORA2AADORA1 | |
| SCHEMBL9152010 | 0.85 | ADORA2B (0.51) | ADORA2BADORA3KDM4EADORA2AADORA1 | |
| SCHEMBL6555320 | 0.84 | ADORA2B (0.44) | ADORA2BADORA3KDM4EADORA2AADORA1 | |
| SCHEMBL6049659 | 0.84 | ADORA2B (0.43) | ADORA2BADORA3ADORA2AADORA1HDAC1 | |
| SCHEMBL6553577 | 0.84 | ADORA2B (0.42) | ADORA2BADORA3ADORA2AADORA1LMNA | |
| SCHEMBL6049595 | 0.84 | ADORA2B (0.52) | ADORA2BADORA3KDM4EALDH1A1ADORA2A | |
| SCHEMBL6049606 | 0.80 | ADORA2B (0.51) | ADORA2BADORA3ADORA2AADORA1 | |
| SCHEMBL6049631 | 0.80 | ADORA2B (0.45) | ADORA2BADORA3KDM4EALDH1A1ADORA2A | |
| SCHEMBL6049598 | 0.80 | ADORA2B (0.44) | ADORA2BADORA3KDM4EALDH1A1ADORA2A |
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-1104422-B1 | PHENYL XANTHINE DERIVATIVES | GLAXO GROUP LTD (GB) | 2004-02-18 | — | — | EP | disclosed |