Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 3/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CDK7 | P50613 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136327 | 0.87 | ALDH1A1 (0.41) | CDK2CLK1ALDH1A1PKMBRD4 | |
| SCHEMBL2085458 | 0.83 | CDK2 (0.55) | CDK2CLK1ALDH1A1PKMMKNK2 | |
| SCHEMBL2086771 | 0.78 | CDK2 (0.58) | CDK2CLK1MKNK2CCNT1CDK7 | |
| SCHEMBL27664540 | 0.75 | CDK2 (0.51) | CDK2CLK1ALDH1A1MKNK2TSHR | |
| SCHEMBL2086251 | 0.74 | CDK2 (0.54) | CDK2CLK1MKNK2CCNT1CDK7 | |
| SCHEMBL2086940 | 0.71 | CDK2 (0.51) | CDK2CLK1MKNK2CCNT1CDK7 | |
| SCHEMBL2086822 | 0.70 | CDK2 (0.59) | CDK2CLK1MKNK2CCNT1CDK7 | |
| SCHEMBL27684108 | 0.70 | CDK2 (0.54) | CDK2CLK1MKNK2CCNT1CDK7 | |
| SCHEMBL2087333 | 0.69 | CDK2 (0.55) | CDK2CLK1MKNK2CCNT1CDK7 | |
| SCHEMBL2086222 | 0.69 | CDK2 (0.56) | CDK2CLK1MKNK2CCNT1CDK7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1951307-A2 | COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR | Cyclacel Limited (GB) | 2008-08-06 | — | — | EP | claimed |
| WO-2007054725-A2 | COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR | CYCLACEL LIMITED (GB) | 2007-05-18 | — | — | WO | claimed |