Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 5/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13078574 | 0.89 | ALDH1A1 (0.35) | ALDH1A1AKR1C3HSD11B1RORCAPP | |
| SCHEMBL3752853 | 0.77 | ALDH1A1 (0.39) | ALDH1A1AKR1C3HSD11B1RORC | |
| SCHEMBL3741594 | 0.76 | MMP13 (0.41) | ALDH1A1AKR1C3HSD11B1RORC | |
| SCHEMBL13078576 | 0.70 | DPP4 (0.37) | — | |
| SCHEMBL8097461 | 0.68 | DPP4 (0.41) | RORC | |
| SCHEMBL19640870 | 0.67 | AKR1C3 (0.53) | AKR1C3HSD11B1APP | |
| SCHEMBL8092352 | 0.65 | MGLL (0.37) | — | |
| SCHEMBL13078813 | 0.65 | CTSK (0.34) | — | |
| SCHEMBL8089162 | 0.64 | STS (0.50) | — | |
| SCHEMBL13078578 | 0.64 | CACNA1B (0.37) | — |
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-2009037719-A1 | NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS | LUPIN LIMITED (IN) | 2009-03-26 | — | — | WO | disclosed |