Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4736940 | 0.98 | ALDH1A1 (0.36) | ALDH1A1PYGLEPHX1L3MBTL1 | |
| SCHEMBL8007229 | 0.87 | ALDH1A1 (0.35) | ALDH1A1EPHX1L3MBTL1MEN1KMT2A | |
| SCHEMBL27510109 | 0.85 | EPHX1 (0.39) | EPHX1HSD11B1GAA | |
| SCHEMBL6476990 | 0.84 | — | — | |
| SCHEMBL5965337 | 0.84 | — | — | |
| SCHEMBL583649 | 0.84 | — | — | |
| Water SCHEMBL6244435 | 0.83 | — | — | |
| SCHEMBL16265413 | 0.83 | EPHX1 (0.35) | ALDH1A1EPHX1HSD11B1GAA | |
| SCHEMBL992260 | 0.83 | — | — | |
| SCHEMBL3525420 | 0.82 | EPHX2 (0.39) | ALDH1A1EPHX1GAA |
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-2008074035-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-06-19 | — | — | WO | disclosed |