Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL13303932 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL21356177 | 0.82 | DUT (0.31) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3467567 | 0.81 | KDM4E (0.32) | CA12CA1CA2CA9CA14 | |
| SCHEMBL31503869 | 0.80 | BACE1 (0.30) | — | |
| SCHEMBL1099695 | 0.80 | CA12 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL23883039 | 0.77 | EPHX2 (0.39) | CA12CA1CA2CA9CA14 | |
| SCHEMBL3468690 | 0.77 | HTR2A (0.35) | CA12CA1CA2CA9CA14 | |
| SCHEMBL6114675 | 0.77 | DUT (0.34) | CA12CA1CA9 | |
| SCHEMBL3649317 | 0.74 | APLNR (0.34) | — | |
| SCHEMBL21356242 | 0.74 | NOS3 (0.35) | CA12CA1CA2CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2393781-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010072599-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |