Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | ATM | Q13315 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19566973 | 0.85 | KDM4E (0.35) | KDM4EATMHTTCA1CA2 | |
| SCHEMBL1821870 | 0.82 | KDM4E (0.69) | KDM4EATMHTTALDH1A1HPGD | |
| SCHEMBL1828856 | 0.82 | KDM4E (0.69) | KDM4EATMHTTALDH1A1HPGD | |
| SCHEMBL1829468 | 0.80 | KDM4E (0.68) | KDM4EATMHTTALDH1A1HPGD | |
| SCHEMBL10607243 | 0.78 | KDM4E (0.44) | KDM4EATMHTTALDH1A1HPGD | |
| SCHEMBL10366330 | 0.78 | KDM4E (0.44) | KDM4EATMHTTALDH1A1HPGD | |
| SCHEMBL619674 | 0.77 | KDM4E (0.64) | KDM4EATMHTTALDH1A1HPGD | |
| SCHEMBL2374851 | 0.75 | KDM4E (0.41) | KDM4EATMHTTALDH1A1HPGD | |
| SCHEMBL2374853 | 0.75 | KDM4E (0.41) | KDM4EATMHTTALDH1A1HPGD | |
| SCHEMBL7960607 | 0.75 | ATM (0.47) | ATMPBRM1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |