Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.32 |
| ▸ | CA9 | Q16790 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1348859 | 0.81 | SMN1; SMN2 (0.39) | CA12CA2CA9CA1PTGS1 | |
| SCHEMBL1348308 | 0.73 | HPGD (0.35) | CA12CA2CA9CA1PTGS1 | |
| SCHEMBL1350177 | 0.71 | HPGD (0.43) | — | |
| SCHEMBL1348844 | 0.71 | CSNK2A1 (0.32) | CA12CA2CA9CA1PTGS2 | |
| SCHEMBL1348845 | 0.71 | HPGD (0.35) | CA12CA2CA9CA1PTGS1 | |
| SCHEMBL1349028 | 0.71 | PSD (0.34) | CA12CA2CA9CA1 | |
| SCHEMBL1348457 | 0.69 | HPGD (0.36) | CA2CA9CA1PTGS1PTGS2 | |
| SCHEMBL1348119 | 0.69 | CA12 (0.38) | CA12CA2CA9CA1PTGS2 | |
| SCHEMBL2854594 | 0.69 | KDM4E (0.34) | SCN5A | |
| SCHEMBL1348046 | 0.67 | CA12 (0.32) | CA12CA2CA9CA1PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | disclosed |