Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.49 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.49 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | GPR183 | P32249 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | PRLHR | P49683 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7828410 | 0.90 | ALDH1A1 (0.55) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| Ethylene SCHEMBL7964704 | 0.88 | ALDH1A1 (0.52) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL6558877 | 0.79 | CA1 (0.51) | ALDH1A1CA1CA2 | |
| SCHEMBL28396337 | 0.79 | HPGD (0.61) | ALDH1A1GPR183L3MBTL1CA1CA2 | |
| SCHEMBL8103530 | 0.79 | CA1 (0.64) | ALDH1A1MAPTNAMPTCA1CA2 | |
| SCHEMBL31387924 | 0.78 | HPGD (0.68) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL7469385 | 0.78 | HPGD (0.56) | ALDH1A1 | |
| SCHEMBL31387922 | 0.78 | HPGD (0.68) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL3633068 | 0.77 | HPGD (0.71) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL7047272 | 0.76 | HPGD (0.63) | ALDH1A1SLC6A7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0936912-A4 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORP (US) | 1999-10-13 | — | — | EP | disclosed |
| EP-0936912-A1 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998005336-A1 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-12 | — | — | WO | disclosed |