Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.40 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 2/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5500645 | 0.98 | PDK1 (0.38) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL23531246 | 0.81 | CA1 (0.38) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL18232633 | 0.77 | EPHX1 (0.35) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL5504916 | 0.76 | ADH1B (0.36) | KDM4ECA1CA12EPHX1CYP2D6 | |
| SCHEMBL5501035 | 0.76 | PDK1 (0.37) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL5500497 | 0.76 | PDK1 (0.37) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL15114086 | 0.75 | KDM4E (0.40) | PDK1PDK2PDK3PDK4KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL28842163 | 0.75 | EPHX1 (0.44) | KDM4EEPHX1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5505013 | 0.74 | PDK1 (0.34) | PDK1PDK2PDK3PDK4KDM4E | |
| SCHEMBL15114114 | 0.73 | PDK1 (0.37) | PDK1PDK2PDK3PDK4KDM4E |
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-1828111-A2 | METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES | Neurochem (International) Limited (CH) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006059252-A2 | METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2006-06-08 | — | — | WO | disclosed |