Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD81 | P60033 | 2/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28069094 | 0.87 | CD81 (0.41) | CD81TBXAS1PPARGBACE1 | |
| SCHEMBL637285 | 0.83 | CD81 (0.36) | CD81EP300TBXAS1PPARGBACE1 | |
| SCHEMBL637283 | 0.83 | CD81 (0.36) | CD81EP300TBXAS1PPARGBACE1 | |
| SCHEMBL11211538 | 0.82 | EP300 (0.43) | CD81EP300TBXAS1PPARGBACE1 | |
| SCHEMBL1317424 | 0.82 | EP300 (0.48) | CD81EP300TBXAS1PPARGBACE1 | |
| SCHEMBL1317422 | 0.82 | EP300 (0.48) | CD81EP300TBXAS1PPARGBACE1 | |
| SCHEMBL9841124 | 0.82 | KDM4E (0.52) | CD81EP300 | |
| SCHEMBL9841122 | 0.82 | KDM4E (0.52) | CD81EP300 | |
| SCHEMBL636778 | 0.80 | CYP2C19 (0.39) | CD81EP300TBXAS1 | |
| SCHEMBL636776 | 0.80 | CYP2C19 (0.39) | CD81EP300TBXAS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090142273-A1 | Activatable cest MRI agent | CASE WESTERN RESERVE UNIVERSITY | 2009-06-04 | — | — | US | claimed |
| US-20090142273-A1 | Activatable cest MRI agent | CASE WESTERN RESERVE UNIVERSITY | 2009-06-04 | — | — | US | disclosed |