Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SENP1 | Q9P0U3 | 2/20 | 0.39 |
| ▸ | CD22 | P20273 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | HK1 | P19367 | 3/20 | 0.37 |
| ▸ | HK2 | P52789 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9937930 | 0.87 | HK1 (0.46) | ALDH1A1SMN1; SMN2KDM4EHPGDERN1 | |
| SCHEMBL9971335 | 0.83 | HK1 (0.40) | ALDH1A1SMN1; SMN2KDM4EHPGDEPHX2 | |
| SCHEMBL9971328 | 0.81 | HK1 (0.50) | HK1HK2 | |
| SCHEMBL9971322 | 0.81 | HK1 (0.45) | HK1HK2 | |
| SCHEMBL9971310 | 0.79 | HK1 (0.56) | HK1HK2 | |
| SCHEMBL9938769 | 0.76 | HK1 (0.60) | ALDH1A1SMN1; SMN2KDM4EHPGDERN1 | |
| SCHEMBL9938774 | 0.76 | HK1 (0.60) | ALDH1A1SMN1; SMN2KDM4EHPGDERN1 | |
| SCHEMBL9971386 | 0.71 | HK1 (0.48) | ALDH1A1SMN1; SMN2KDM4EHPGDHK1 | |
| SCHEMBL1926645 | 0.70 | NPC1 (0.78) | ALDH1A1SMN1; SMN2KDM4EHPGDERN1 | |
| SCHEMBL9938498 | 0.69 | HK1 (0.56) | HK1HK2 |
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-2012083145-A1 | GLUCOSAMINE DERIVATIVES | GLAXO WELLCOME MANUFACTURING PTE LTD (SG) | 2012-06-21 | — | — | WO | disclosed |