Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNE1 | P15382 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.42 |
| ▸ | RNASEH1 | O60930 | 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 | |
|---|---|---|---|---|
| SCHEMBL22400287 | 0.91 | KCNE1 (0.42) | KCNE1CCR1KCNQ1RNASEH1 | |
| SCHEMBL16445001 | 0.80 | RNASEH1 (0.38) | KCNE1CCR1KCNQ1RNASEH1 | |
| SCHEMBL15085016 | 0.80 | KCNE1 (0.69) | KCNE1CCR1KCNQ1 | |
| SCHEMBL9979025 | 0.78 | KCNE1 (0.51) | KCNE1CCR1KCNQ1 | |
| SCHEMBL15728533 | 0.71 | KCNE1 (0.40) | KCNE1CCR1KCNQ1 | |
| SCHEMBL21045731 | 0.70 | KCNE1 (0.59) | KCNE1CCR1KCNQ1 | |
| SCHEMBL17749053 | 0.68 | ERCC1 (0.48) | RNASEH1 | |
| SCHEMBL15066733 | 0.67 | KCNE1 (0.66) | KCNE1CCR1KCNQ1 | |
| SCHEMBL13041232 | 0.65 | ERCC1 (0.50) | RNASEH1 | |
| SCHEMBL12432516 | 0.64 | ERCC1 (0.49) | RNASEH1 |
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-2013098854-A2 | SYNTHESIS OF RALTEGRAVIR | EMCURE PHARMACEUTICALS LIMITED (IN) | 2013-07-04 | — | — | WO | disclosed |