Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 15/20 | 0.65 |
| ▸ | MAPK14 | Q16539 | 8/20 | 0.65 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.55 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.55 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10265036 | 0.88 | NPSR1 (0.57) | RAF1MAPK14NPSR1RXFP1 | |
| SCHEMBL1958679 | 0.82 | KDM4E (0.46) | RAF1MAPK14NPSR1KDM4E | |
| SCHEMBL2158389 | 0.80 | KDM4E (0.73) | NPSR1KDM4ERXFP1 | |
| SCHEMBL10220054 | 0.79 | RAF1 (1.00) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL14223408 | 0.78 | KMT2A (0.68) | NPSR1KDM4E | |
| SCHEMBL13425471 | 0.76 | RAF1 (0.65) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL10308320 | 0.76 | RAF1 (0.69) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL15959534 | 0.74 | RAF1 (1.00) | RAF1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL14223516 | 0.73 | NPSR1 (0.50) | RAF1MAPK14NPSR1KDM4ERXFP1 | |
| SCHEMBL7039680 | 0.73 | PPARG (0.59) | KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012006055-A2 | COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | WO | disclosed |
| WO-2011068715-A1 | 5-ALKYNYL-THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-09 | — | — | WO | disclosed |