Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 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 | 0.44 |
| ▸ | CDK2 | P24941 | 14/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 10/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 10/20 | 0.44 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 9/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 9/20 | 0.44 |
| ▸ | CDK1 | P06493 | 4/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27553389 | 0.86 | MAPK1 (0.47) | NPSR1MAPK1MAPTMDM2TDP1 | |
| SCHEMBL7525338 | 0.80 | HTT (0.67) | NPSR1MAPK1MAPTMDM2TDP1 | |
| SCHEMBL19112099 | 0.78 | NPSR1 (0.47) | NPSR1MAPK1MAPTMDM2TDP1 | |
| SCHEMBL4497263 | 0.73 | CDK2 (0.73) | CDK2CDK5CCNA2CCNA1DYRK1A | |
| SCHEMBL3298664 | 0.72 | CDK2 (0.44) | MAPK1CDK2CDK5CCNA2CCNA1 | |
| SCHEMBL27573678 | 0.71 | CDK2 (0.58) | NPSR1MAPK1MAPTMDM2TDP1 | |
| SCHEMBL3298667 | 0.71 | CDK1 (0.63) | MAPK1MAPTTDP1CDK2CDK5 | |
| SCHEMBL1293109 | 0.69 | CDK2 (0.49) | MAPTTDP1CDK2CDK5CCNA2 | |
| SCHEMBL20656164 | 0.69 | CDK2 (0.49) | MAPK1MAPTTDP1CDK2CDK5 | |
| SCHEMBL14039518 | 0.69 | CDK1 (0.71) | MAPK1CDK2CDK5CCNA2CCNA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |