Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.52 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | STK4 | Q13043 | 1/20 | 0.41 |
| ▸ | STK3 | Q13188 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | APC | P25054 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL5392529 | 0.95 | MAPK1 (0.66) | MAPK1MAPK10ADORA1ADORA2APIN1 | |
| SCHEMBL4761520 | 0.92 | MAPK1 (0.64) | MAPK1MAPK10ADORA1ADORA2ANPC1 | |
| SCHEMBL5401255 | 0.91 | MAPK1 (0.51) | MAPK1ADORA1ADORA2AALOX5APFEN1 | |
| SCHEMBL5407380 | 0.88 | MAPK1 (0.48) | MAPK1MAPK10ADORA1ADORA2A | |
| SCHEMBL5405436 | 0.87 | ADORA1 (0.54) | MAPK1MAPK10ADORA1ADORA2ADHFR | |
| SCHEMBL5403795 | 0.85 | MAPK1 (0.55) | MAPK1MAPK10ADORA1ADORA2ANPC1 | |
| SCHEMBL5401294 | 0.85 | ADORA1 (0.52) | MAPK1MAPK10ADORA1RAB9ASTK4 | |
| SCHEMBL5412984 | 0.85 | MAPK1 (0.54) | MAPK1MAPK10ADORA1ADORA2ASTK4 | |
| SCHEMBL5412702 | 0.84 | MAPK1 (0.54) | MAPK1MAPK10ADORA1ADORA2ALRRK2 | |
| SCHEMBL5395910 | 0.83 | MAPK1 (0.53) | MAPK1MAPK10ADORA1ADORA2APDE4B |
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-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | claimed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | claimed |