Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.52 |
| ▸ | AKT2 | P31751 | 2/20 | 0.47 |
| ▸ | AKT1 | P31749 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1003062 | 0.92 | AKT2 (0.58) | CHEK1CHEK2AKT2AKT1MEN1 | |
| SCHEMBL1003192 | 0.88 | AKT2 (0.60) | CHEK1CHEK2AKT2AKT1MEN1 | |
| SCHEMBL23393842 | 0.87 | AKT2 (0.54) | CHEK1CHEK2AKT2AKT1MEN1 | |
| SCHEMBL1002796 | 0.77 | AKT2 (0.65) | CHEK1CHEK2AKT2AKT1ALDH1A1 | |
| SCHEMBL14163022 | 0.75 | CHEK1 (0.71) | CHEK1CHEK2MEN1KMT2APDE4B | |
| SCHEMBL4803059 | 0.69 | CHEK1 (1.00) | CHEK1CHEK2MEN1KMT2APDE4B | |
| SCHEMBL14163041 | 0.68 | CHEK1 (0.86) | CHEK1CHEK2MEN1KMT2APDE4B | |
| SCHEMBL14162805 | 0.68 | CHEK1 (0.86) | CHEK1CHEK2MEN1KMT2APDE4B | |
| SCHEMBL14162801 | 0.67 | CHEK1 (0.86) | CHEK1CHEK2MEN1KMT2APDE4B | |
| SCHEMBL4740302 | 0.67 | PDE4B (0.58) | CHEK1CHEK2MEN1KMT2APDE4B |
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-2272517-A1 | Ortho-condensed pyridine and pyrimidine derivatives ( e.g. purines ) as protein kinases inhibitors | Astex Therapeutics Limited (GB) | 2011-01-12 | — | — | EP | disclosed |