Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPIA | P62937 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL7378722 | 0.81 | CTSL (0.39) | CTSL | |
| SCHEMBL7376052 | 0.80 | CTSL (0.36) | PPIACTSLGAANFKB1NFKB2 | |
| SCHEMBL319692 | 0.76 | CTSL (0.35) | PPIACTSLGAAP2RX7NFKB1 | |
| SCHEMBL7376262 | 0.75 | PPARG (0.39) | — | |
| SCHEMBL7394465 | 0.74 | HPGDS (0.40) | CTSLGAAP2RX7NFKB1NFKB2 | |
| SCHEMBL7424937 | 0.71 | PPIA (0.38) | PPIACTSL | |
| SCHEMBL7418004 | 0.71 | PPIA (0.41) | PPIACTSL | |
| SCHEMBL25702334 | 0.71 | P2RX7 (0.39) | PPIACTSLGAAP2RX7 | |
| SCHEMBL7428389 | 0.69 | PPIA (0.35) | PPIACTSL | |
| SCHEMBL26670511 | 0.69 | POLB (0.40) | CTSLGAANFKB1NFKB2RELA |
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-2585447-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |