Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL1829308 | 0.80 | EPHX2 (0.45) | EPHX2HDAC6 | |
| SCHEMBL18760057 | 0.72 | HDAC6 (0.47) | EPHX2HDAC6 | |
| SCHEMBL725711 | 0.69 | ALDH1A1 (0.38) | EPHX2HDAC6 | |
| SCHEMBL12976224 | 0.68 | EPHX2 (0.38) | EPHX2HDAC6 | |
| SCHEMBL10202700 | 0.68 | EPHX2 (0.38) | EPHX2HDAC6 | |
| SCHEMBL2879549 | 0.68 | EPHX2 (0.38) | EPHX2HDAC6 | |
| SCHEMBL16215584 | 0.68 | EPHX2 (0.38) | EPHX2HDAC6 | |
| SCHEMBL22116888 | 0.66 | NPC1 (0.59) | HDAC6 | |
| SCHEMBL7885449 | 0.66 | EPHX2 (0.33) | EPHX2HDAC6 | |
| SCHEMBL6823997 | 0.66 | EPHX2 (0.33) | EPHX2HDAC6 |
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-2010122578-A2 | PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2010-10-28 | — | — | WO | disclosed |