Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 3/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.47 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.47 |
| ▸ | CDK1 | P06493 | 2/20 | 0.47 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.47 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.47 |
| ▸ | TDP2 | O95551 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 3/20 | 0.36 |
| ▸ | GSK3A | P49840 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5893931 | 0.84 | CDK5 (0.50) | CDK5CDK5R1CCNB2CDK1CCNB1 | |
| SCHEMBL1699143 | 0.80 | MEN1 (0.44) | CDK5CDK5R1CCNB2CDK1CCNB1 | |
| SCHEMBL580431 | 0.76 | CDK5 (0.47) | CDK5CDK5R1CCNB2CDK1CCNB1 | |
| SCHEMBL25983870 | 0.76 | JAK2 (0.43) | CDK5CDK5R1CCNB2CDK1CCNB1 | |
| SCHEMBL7657140 | 0.76 | LRRK2 (0.42) | CDK5CDK5R1CCNB2CDK1CCNB1 | |
| SCHEMBL31061181 | 0.76 | AURKA (0.44) | CDK5CDK5R1CCNB2CDK1CCNB1 | |
| SCHEMBL730358 | 0.74 | PIK3CA (0.53) | PDE3BPDE3A | |
| SCHEMBL6324288 | 0.73 | CCNB2 (0.49) | CDK5CDK5R1CCNB2CDK1CCNB1 | |
| SCHEMBL19357884 | 0.71 | LRRK2 (0.41) | CCNB2CDK1CCNB1CCNB3ADORA1 | |
| Bromide SCHEMBL29710350 | 0.70 | LRRK2 (0.40) | CCNB2CDK1CCNB1CCNB3ADORA1 |
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-0660833-A1 | 3,3'-DISUBSTITUTED-1,3-DIHYDRO-2H-PYRROLO 2,3-b]HETEROCYCLIC-2-ONE USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS OF MAN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-05 | — | — | EP | disclosed |