Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | CCKAR | P32238 | 4/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5397011 | 0.88 | ADORA1 (0.53) | ADORA1MAPK1MAPK10CCKARADORA2A | |
| SCHEMBL5403894 | 0.85 | ADORA1 (0.52) | ADORA1MAPK1MAPK10CCKARADORA2A | |
| SCHEMBL5401294 | 0.85 | ADORA1 (0.52) | ADORA1MAPK1MAPK10 | |
| SCHEMBL5412680 | 0.85 | ADORA1 (0.54) | ADORA1CCKARADORA2AMAPT | |
| SCHEMBL5406975 | 0.85 | ADORA1 (0.49) | ADORA1MAPK1MAPK10ADORA2A | |
| SCHEMBL5407239 | 0.82 | ALDH1A1 (0.49) | ADORA1MAPK1CCKAR | |
| SCHEMBL5400925 | 0.81 | CCKAR (0.54) | ADORA1CCKARADORA2AMAPT | |
| SCHEMBL5405500 | 0.81 | ADORA1 (0.47) | ADORA1MAPK1MAPK10 | |
| SCHEMBL5410578 | 0.81 | MAPK1 (0.54) | ADORA1MAPK1MAPT | |
| SCHEMBL5412664 | 0.80 | ADORA1 (0.48) | ADORA1MAPK1MAPK10 |
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 | disclosed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | disclosed |