Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | EP300 | Q09472 | 1/20 | 0.43 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.43 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2068498 | 0.79 | KEAP1 (0.65) | GAAKEAP1L3MBTL1NFE2L2KMT2A | |
| SCHEMBL29904739 | 0.79 | KEAP1 (0.65) | GAAKEAP1L3MBTL1NFE2L2KMT2A | |
| SCHEMBL12087445 | 0.77 | GAA (0.36) | GAAKEAP1L3MBTL1 | |
| SCHEMBL10681280 | 0.74 | KEAP1 (0.55) | GAAKEAP1L3MBTL1NFE2L2KMT2A | |
| SCHEMBL12740474 | 0.73 | POLB (0.43) | GAAL3MBTL1KMT2AALOX15TSHR | |
| SCHEMBL1488624 | 0.71 | KEAP1 (0.57) | GAAKEAP1L3MBTL1NFE2L2KMT2A | |
| SCHEMBL3915870 | 0.71 | L3MBTL1 (0.62) | GAAKEAP1L3MBTL1NFE2L2KMT2A | |
| SCHEMBL1476351 | 0.71 | KEAP1 (0.70) | KEAP1L3MBTL1NFE2L2KMT2AEP300 | |
| SCHEMBL3031664 | 0.71 | KEAP1 (0.52) | GAAKEAP1L3MBTL1NFE2L2KMT2A | |
| SCHEMBL415763 | 0.71 | KEAP1 (0.52) | GAAKEAP1L3MBTL1NFE2L2KMT2A |
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-2032562-B1 | SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF | VERTEX PHARMA (US) | 2010-08-25 | — | — | EP | disclosed |
| WO-2007133622-A2 | SELECTIVE INHIBITORS OF ROCK PROTEIN KINASE AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-11-22 | — | — | WO | disclosed |