Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5719333 | 0.89 | NPC1 (0.48) | NPC1RAB9AMAPTALOX15ALDH1A1 | |
| SCHEMBL5719595 | 0.87 | DPP4 (0.56) | NPC1RAB9AMAPTALOX15ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5719362 | 0.85 | DPP4 (0.49) | NPC1RAB9AMAPTALOX15ALDH1A1 | |
| SCHEMBL5776712 | 0.81 | GAA (0.39) | ALDH1A1GAAL3MBTL1TP53DPP4 | |
| SCHEMBL6386721 | 0.75 | DPP4 (0.47) | DPP4 | |
| SCHEMBL5718802 | 0.75 | GAA (0.52) | ALDH1A1GAAL3MBTL1TP53DPP4 | |
| SCHEMBL5719799 | 0.74 | DPP4 (0.59) | ALDH1A1DPP4SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL5718899 | 0.73 | DPP4 (0.57) | ALDH1A1DPP4SMN1; SMN2 | |
| SCHEMBL5719154 | 0.73 | ALDH1A1 (0.41) | ALDH1A1GAAL3MBTL1TP53DPP4 | |
| SCHEMBL5719433 | 0.73 | DPP4 (0.74) | ALDH1A1DPP4SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1338595-B1 | Xanthine derivatives as DPP-IV inhibitors | EISAI CO LTD (JP) | 2006-05-03 | — | — | EP | disclosed |