Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4A | O75164 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28501882 | 0.87 | ADORA1 (0.64) | ADORA1ADORA2AADORA2BKDM4ECYP1A2 | |
| SCHEMBL9257595 | 0.80 | ADORA2B (0.60) | ADORA1ADORA2AADORA2BCYP3A4CYP2C19 | |
| SCHEMBL9257945 | 0.74 | ERCC1 (0.48) | ADORA2AADORA2BCYP3A4KDM4ECYP1A2 | |
| SCHEMBL515533 | 0.70 | CYP3A4 (0.62) | CYP3A4CYP2C19KDM4ECYP1A2BLM | |
| SCHEMBL2685370 | 0.67 | ADORA2A (0.47) | ADORA1ADORA2AADORA2BADORA3 | |
| SCHEMBL515968 | 0.66 | CYP3A4 (0.75) | CYP3A4CYP2C19KDM4ECYP1A2HSD17B10 | |
| SCHEMBL25090614 | 0.65 | ADORA2B (0.54) | ADORA1ADORA2AADORA2BKDM4ECYP1A2 | |
| SCHEMBL9253425 | 0.64 | ADORA2B (0.59) | ADORA1ADORA2AADORA2BKDM4EADORA3 | |
| 8-Phenyl Theophylline SCHEMBL516432 | 0.64 | ADORA2A (1.00) | ADORA1ADORA2AADORA2BKDM4ECYP1A2 | |
| SCHEMBL30438783 | 0.64 | KDM4E (0.64) | ADORA1ADORA2AADORA2BKDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5453426-A | Sulfur-containing xanthine derivatives as adenosine antagonists | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-09-26 | — | — | US | claimed |