Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.47 |
| ▸ | GSK3B | P49841 | 3/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.43 |
| ▸ | PRCP | P42785 | 3/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4766014 | 0.78 | ADORA1 (0.47) | ADORA1ADORA2AADORA3 | |
| SCHEMBL4774987 | 0.76 | ADORA2A (0.46) | ADORA1ADORA2AGSK3BDYRK1A | |
| SCHEMBL4773065 | 0.75 | ADORA1 (0.43) | ADORA1ADORA2ADYRK1AADORA3 | |
| SCHEMBL4773130 | 0.75 | HDAC1 (0.45) | DYRK1A | |
| SCHEMBL4771758 | 0.74 | ADORA1 (0.43) | ADORA1ADORA2AADORA3 | |
| SCHEMBL4765953 | 0.74 | LMNA (0.52) | — | |
| SCHEMBL4769045 | 0.74 | HDAC1 (0.48) | ACHE | |
| SCHEMBL4769061 | 0.73 | ADORA2A (0.43) | ADORA1ADORA2AADORA3 | |
| SCHEMBL4768684 | 0.73 | ADORA2A (0.43) | ADORA1ADORA2ADYRK1AEGFRADORA3 | |
| SCHEMBL3968244 | 0.73 | MKNK1 (0.40) | ADORA1ADORA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |