Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.67 |
| ▸ | BLM | P54132 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL25090602 | 0.90 | ADORA2B (0.72) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 | |
| SCHEMBL25090424 | 0.81 | ADORA2B (0.63) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 | |
| SCHEMBL25089906 | 0.81 | ADORA2B (0.58) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 | |
| 8-Phenyl Theophylline SCHEMBL516432 | 0.80 | ADORA2A (1.00) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 | |
| SCHEMBL25089895 | 0.78 | ADORA2B (0.59) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 | |
| SCHEMBL25090480 | 0.78 | ALDH1A1 (0.64) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 | |
| SCHEMBL8596143 | 0.78 | KDM4E (0.76) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 | |
| SCHEMBL9928563 | 0.78 | GAA (0.56) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 | |
| SCHEMBL25089896 | 0.77 | ALDH1A1 (0.62) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 | |
| SCHEMBL6868854 | 0.76 | ADORA2B (0.76) | KDM4EADORA2BHSD17B10CYP1A2ADORA3 |
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-2023023867-A1 | COMPOUNDS FOR REDUCING CHOLESTEROL AND TREATING LIVER AND KIDNEY DISEASE | MCMASTER UNIVERSITY (CA) | 2023-03-02 | — | — | WO | disclosed |