Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 5/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7478358 | 0.88 | MAP3K14 (0.40) | MAP3K14GRM5MAPK14ADORA2BADORA2A | |
| SCHEMBL7475479 | 0.80 | MAP3K14 (0.39) | MAP3K14TNIKMAPK14VNN1 | |
| SCHEMBL7474200 | 0.78 | MAPK14 (0.58) | GRM5MAPK14VNN1 | |
| SCHEMBL1383366 | 0.77 | MAPK14 (0.57) | MAPK14 | |
| SCHEMBL5762375 | 0.77 | PBRM1 (0.44) | NPC1 | |
| SCHEMBL7472841 | 0.76 | HSD17B14 (0.44) | — | |
| SCHEMBL7466368 | 0.76 | MAPK14 (0.61) | GRM5MAPK14ADORA2AADORA1RAB9A | |
| SCHEMBL7476723 | 0.75 | PARP1 (0.40) | MAPK14NPC1RAB9A | |
| SCHEMBL7474871 | 0.75 | MAP2K4 (0.39) | VNN1 | |
| SCHEMBL7480868 | 0.75 | NPY5R (0.41) | RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218346-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021591-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-29 | — | — | WO | disclosed |
| EP-1075467-A1 | PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-02-14 | — | — | EP | disclosed |
| WO-1999057101-A1 | PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 1999-11-11 | — | — | WO | disclosed |