Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL25090464 | 0.79 | KDM4E (0.64) | ADORA2BKDM4EADORA2ACYP1A2ADORA3 | |
| SCHEMBL25090459 | 0.78 | ADORA2B (0.58) | ADORA2BKDM4EADORA2ACYP1A2ADORA3 | |
| 8-Chlorotheophylline SCHEMBL411139 | 0.75 | POLB (0.57) | ADORA2BKDM4EADORA2ACYP1A2ADORA3 | |
| SCHEMBL1400610 | 0.75 | ADORA2B (0.57) | ADORA2BKDM4EADORA2ACYP1A2ADORA3 | |
| SCHEMBL515588 | 0.74 | KDM4E (0.76) | ADORA2BKDM4EADORA2ACYP1A2ADORA3 | |
| SCHEMBL7318169 | 0.74 | KDM4E (0.76) | ADORA2BKDM4EADORA2ACYP1A2ADORA3 | |
| SCHEMBL10614807 | 0.74 | ADORA2B (0.57) | ADORA2BKDM4ECYP1A2ALDH1A1HPGD | |
| 8-Chlorotheophylline SCHEMBL5719335 | 0.73 | POLB (0.55) | ADORA2BKDM4EADORA2ACYP1A2ADORA3 | |
| SCHEMBL515784 | 0.72 | ADORA2B (0.64) | ADORA2BKDM4EADORA2ACYP1A2ADORA3 | |
| SCHEMBL2119734 | 0.72 | KDM4E (0.72) | ADORA2BKDM4EADORA2ACYP1A2ADORA3 |
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 |