Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GSR | P00390 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6511293 | 0.82 | AKR1C3 (0.43) | AKR1C3AKR1C2PTGS2KMT2A | |
| SCHEMBL6518924 | 0.78 | PGR (0.47) | PTGS2MEN1ALDH1A1KMT2A | |
| SCHEMBL6184286 | 0.78 | EPHX2 (0.54) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL5146326 | 0.78 | PTGS2 (0.52) | AKR1C3AKR1C2PTGS2MEN1ALDH1A1 | |
| SCHEMBL3796823 | 0.77 | GAA (0.40) | ALDH1A1GAAKMT2A | |
| SCHEMBL8049079 | 0.76 | ENPP2 (0.50) | AKR1C3PTGS2ENPP2GAAGSR | |
| SCHEMBL6510907 | 0.75 | PTGS2 (0.54) | AKR1C3AKR1C2PTGS2MEN1NPC1 | |
| SCHEMBL8722500 | 0.74 | ENPP2 (0.48) | AKR1C3PTGS2ENPP2GSR | |
| SCHEMBL7481806 | 0.73 | ENPP2 (0.47) | AKR1C3PTGS2ENPP2GSR | |
| SCHEMBL6532532 | 0.71 | AKR1C3 (0.50) | AKR1C3AKR1C2PTGS2 |
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-2005051941-A1 | THIONE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | CJ CORPORATION (KR) | 2005-06-09 | — | — | WO | disclosed |