Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 1.00 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.70 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | CDK4 | P11802 | 1/20 | 0.47 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4680745 | 0.82 | MAPK14 (0.69) | MAPK14MAPK8PTGS2PTGS1JAK2 | |
| SCHEMBL17232413 | 0.80 | MAPK14 (0.66) | MAPK14MAPK8NPC1RAB9ARXFP1 | |
| SCHEMBL19706531 | 0.79 | NPC1 (0.71) | MAPK14MAPK8NPC1RAB9ARXFP1 | |
| SCHEMBL3947487 | 0.79 | MAPK14 (0.65) | MAPK14MAPK8PTGS2PTGS1ADORA3 | |
| SCHEMBL14591600 | 0.79 | MAPK14 (0.64) | MAPK14MAPK8PTGS2PTGS1ADORA3 | |
| SCHEMBL30479207 | 0.77 | MAPK8 (0.79) | MAPK14MAPK8PTGS2PTGS1ADORA1 | |
| SCHEMBL15161541 | 0.77 | MAPK14 (0.62) | MAPK14MAPK8GABRA5FLT1KDR | |
| SCHEMBL11924782 | 0.76 | MAPK14 (0.62) | MAPK14MAPK8NPC1RAB9APTGS2 | |
| SCHEMBL1875524 | 0.75 | MAPK14 (0.71) | MAPK14MAPK8NPC1RAB9ARXFP1 | |
| SCHEMBL18292544 | 0.75 | TDP1 (0.67) | MAPK14MAPK8PTGS2PTGS1ADORA3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1476840-A4 | CRYSTAL STRUCTURES OF JNK-INHIBITOR COMPLEXES AND BINDING POCKETS THEREOF | VERTEX PHARMA (US) | 2007-05-09 | — | — | EP | claimed |
| EP-1476840-A2 | CRYSTAL STRUCTURES OF JNK-INHIBITOR COMPLEXES AND BINDING POCKETS THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2004-11-17 | — | — | EP | claimed |
| WO-2003060102-A2 | CRYSTAL STRUCTURES OF JNK-INHIBITOR COMPLEXES AND BINDING POCKETS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-07-24 | — | — | WO | claimed |
| EP-1476840-A4 | CRYSTAL STRUCTURES OF JNK-INHIBITOR COMPLEXES AND BINDING POCKETS THEREOF | VERTEX PHARMA (US) | 2007-05-09 | — | — | EP | disclosed |
| EP-1476840-A2 | CRYSTAL STRUCTURES OF JNK-INHIBITOR COMPLEXES AND BINDING POCKETS THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003060102-A2 | CRYSTAL STRUCTURES OF JNK-INHIBITOR COMPLEXES AND BINDING POCKETS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-07-24 | — | — | WO | disclosed |