Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 8/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 15/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 7/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.45 |
| ▸ | CDK9 | P50750 | 5/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 8/20 | 0.39 |
| ▸ | CDK4 | P11802 | 7/20 | 0.39 |
| ▸ | CDK7 | P50613 | 7/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.39 |
| ▸ | CCNH | P51946 | 6/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27573678 | 0.86 | CDK2 (0.58) | MAPK1NPSR1MAPTMDM2TDP1 | |
| SCHEMBL27780397 | 0.86 | NPSR1 (0.47) | MAPK1NPSR1MAPTMDM2TDP1 | |
| SCHEMBL7525338 | 0.81 | HTT (0.67) | MAPK1NPSR1MAPTMDM2TDP1 | |
| SCHEMBL3305157 | 0.78 | CDK2 (0.49) | MAPK1NPSR1HTTCDK2CDK5 | |
| SCHEMBL15016274 | 0.78 | CDK2 (0.66) | MAPK1NPSR1CDK2CDK5CCNA2 | |
| SCHEMBL27801832 | 0.78 | CDK2 (0.41) | CDK2CDK9KCNA5 | |
| SCHEMBL3299538 | 0.73 | CDK2 (0.45) | MAPK1CDK2CDK5CCNA2CCNA1 | |
| SCHEMBL19112099 | 0.71 | NPSR1 (0.47) | MAPK1NPSR1MAPTMDM2TDP1 | |
| SCHEMBL27573680 | 0.71 | KCNA5 (0.39) | MAPK1KCNA5 | |
| SCHEMBL3299543 | 0.71 | CDK2 (0.70) | MAPK1MAPTTDP1CDK2CDK5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101679434-B | 2, 6, 9-substituted purine derivatives having anti proliferative properties | CYCLACEL LTD | 2013-09-25 | — | — | CN | disclosed |
| CN-101679434-A | Has 2,6 of anti proliferative properties, the purine derivative that 9-replaces | CYCLACEL LTD | 2010-03-24 | — | — | CN | disclosed |
| CN-1329393-C | New purine derivatives | CYCLACEL LTD (GB) | 2007-08-01 | — | — | CN | disclosed |
| CN-1675211-A | New purine derivatives | CYCLACEL LTD (GB) | 2005-09-28 | — | — | CN | disclosed |