Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 3/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3948690 | 0.96 | PLA2G7 (0.34) | CACNA1BPLA2G7ARSLC22A12 | |
| SCHEMBL14943082 | 0.96 | SLC22A12 (0.34) | PLA2G7ARSLC22A12 | |
| SCHEMBL13031987 | 0.93 | SLC22A12 (0.34) | PLA2G7ARSLC22A12 | |
| SCHEMBL16684159 | 0.87 | PLA2G7 (0.33) | PLA2G7ARSLC22A12 | |
| SCHEMBL14943083 | 0.87 | TRPV4 (0.36) | — | |
| SCHEMBL3480751 | 0.86 | TRPV4 (0.35) | — | |
| SCHEMBL3480039 | 0.86 | TRPV4 (0.35) | — | |
| SCHEMBL14943073 | 0.85 | TRPV4 (0.35) | — | |
| SCHEMBL16684145 | 0.85 | AR (0.33) | PLA2G7ARCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12979768 | 0.84 | AR (0.34) | PLA2G7ARCYP2D6CYP2C9CYP2C19 |
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-2049200-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MethylGene Inc. (CA) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008073142-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-06-19 | — | — | WO | disclosed |