Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 1.00 |
| ▸ | HTT | P42858 | 8/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 1.00 |
| ▸ | TP53 | P04637 | 3/20 | 1.00 |
| ▸ | TSHR | P16473 | 3/20 | 1.00 |
| ▸ | HPGD | P15428 | 6/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.71 |
| ▸ | MAPT | P10636 | 6/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.68 |
| ▸ | POLB | P06746 | 3/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | PRKACA | P17612 | 2/20 | 0.63 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.63 |
| ▸ | GSK3B | P49841 | 2/20 | 0.63 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899387 | 0.82 | KDM4E (0.81) | KDM4EALDH1A1HTTHSD17B10TP53 | |
| SCHEMBL15503862 | 0.81 | KDM4E (1.00) | KDM4EALDH1A1HTTHSD17B10TP53 | |
| SCHEMBL20887162 | 0.81 | KDM4E (0.88) | KDM4EALDH1A1HTTHSD17B10TP53 | |
| SCHEMBL20887260 | 0.80 | KDM4E (0.86) | KDM4EALDH1A1HTTHSD17B10TP53 | |
| SCHEMBL20886910 | 0.80 | KDM4E (0.86) | KDM4EALDH1A1HTTHSD17B10TP53 | |
| SCHEMBL20887161 | 0.80 | KDM4E (0.85) | KDM4EALDH1A1HTTHSD17B10TP53 | |
| SCHEMBL20886904 | 0.78 | KDM4E (0.81) | KDM4EALDH1A1HTTHSD17B10TP53 | |
| SCHEMBL2581454 | 0.78 | KDM4E (0.69) | KDM4EALDH1A1HTTHSD17B10TP53 | |
| SCHEMBL1901437 | 0.78 | RPS6KB1 (1.00) | KDM4EALDH1A1HTTHSD17B10TP53 | |
| SCHEMBL20887035 | 0.77 | KDM4E (0.71) | KDM4EALDH1A1HTTHSD17B10TP53 |
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-2322521-B1 | Heteroaryl compounds useful as inhibitors of GSK-3 | VERTEX PHARMA (US) | 2013-09-04 | — | — | EP | claimed |
| EP-2322521-B1 | Heteroaryl compounds useful as inhibitors of GSK-3 | VERTEX PHARMA (US) | 2013-09-04 | — | — | EP | disclosed |