Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27425116 | 0.80 | EPHX2 (0.42) | NPSR1ALDH1A1HSD17B10EPHX2LMNA | |
| SCHEMBL23096811 | 0.78 | THRB (0.35) | NPSR1ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL3780791 | 0.78 | KCNH2 (0.36) | EPHX1 | |
| SCHEMBL6062101 | 0.76 | ALDH1A1 (0.39) | NPSR1ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL18629040 | 0.73 | EPHX1 (0.40) | NPSR1ALDH1A1HSD17B10SMN1; SMN2KDM4E | |
| SCHEMBL31035976 | 0.73 | CYP1A2 (0.41) | NPSR1ALDH1A1HSD17B10EPHX2KDM4E | |
| SCHEMBL16135444 | 0.73 | CYP1A2 (0.41) | NPSR1ALDH1A1HSD17B10EPHX2KDM4E | |
| SCHEMBL21958303 | 0.72 | ALDH1A1 (0.45) | NPSR1ALDH1A1HSD17B10EPHX2SMN1; SMN2 | |
| SCHEMBL21567116 | 0.72 | ALDH1A1 (0.45) | NPSR1ALDH1A1HSD17B10EPHX2SMN1; SMN2 | |
| SCHEMBL21958304 | 0.72 | ALDH1A1 (0.45) | NPSR1ALDH1A1HSD17B10EPHX2SMN1; SMN2 |
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-1846395-A1 | PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S | Astex Therapeutics Limited (GB) | 2007-10-24 | — | — | EP | disclosed |
| WO-2006077414-A1 | PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-27 | — | — | WO | disclosed |