Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1154960 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD11B1EPAS1 | |
| SCHEMBL2011115 | 0.93 | ALDH1A1 (0.35) | ALDH1A1HSD11B1EPAS1 | |
| SCHEMBL212308 | 0.93 | ALDH1A1 (0.50) | ALDH1A1HSD11B1EPAS1 | |
| SCHEMBL2253089 | 0.93 | ALDH1A1 (0.50) | ALDH1A1HSD11B1EPAS1 | |
| SCHEMBL829179 | 0.93 | ALDH1A1 (0.40) | ALDH1A1HSD11B1EPAS1 | |
| SCHEMBL13464122 | 0.90 | ALDH1A1 (0.47) | ALDH1A1HSD11B1EPAS1 | |
| SCHEMBL6688863 | 0.90 | ALDH1A1 (0.47) | ALDH1A1HSD11B1EPAS1 | |
| SCHEMBL6277727 | 0.90 | ALDH1A1 (0.47) | ALDH1A1HSD11B1EPAS1 | |
| SCHEMBL30875827 | 0.90 | HSD11B1 (0.43) | ALDH1A1HSD11B1EPAS1 | |
| SCHEMBL20511602 | 0.86 | HSD11B1 (0.34) | ALDH1A1HSD11B1 |
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-2004071454-A2 | SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | GUILFORD PHARMACEUTICALS INC. (US) | 2004-08-26 | — | — | WO | disclosed |