Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP8 | Q6V1X1 | 6/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 6/20 | 0.41 |
| ▸ | DPP4 | P27487 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | FAP | Q12884 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7367039 | 0.87 | DPP4 (0.39) | DPP8DPP7DPP4CYP2D6CYP3A4 | |
| SCHEMBL7369431 | 0.87 | L3MBTL1 (0.34) | DPP8DPP7DPP4CYP2D6CYP3A4 | |
| SCHEMBL7367999 | 0.86 | ALDH1A1 (0.39) | ITGB3ITGA2BALDH1A1GAAMMP2 | |
| SCHEMBL7438854 | 0.85 | DPP8 (0.42) | DPP8DPP7DPP4CYP2D6CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL7924834 | 0.82 | DPP8 (0.47) | DPP8DPP7DPP4CYP2D6CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL7365694 | 0.82 | DPP8 (0.47) | DPP8DPP7DPP4CYP2D6CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL7364289 | 0.82 | DPP8 (0.47) | DPP8DPP7DPP4CYP2D6CYP3A4 | |
| SCHEMBL7370704 | 0.79 | CYP2D6 (0.38) | DPP8DPP7DPP4CYP2D6CYP3A4 | |
| SCHEMBL7370446 | 0.76 | PREP (0.38) | DPP8CYP2D6CYP3A4CYP2C9ITGB3 | |
| SCHEMBL7368983 | 0.75 | CYP2D6 (0.41) | CYP2D6CYP3A4TSHRCYP2C9ITGB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0970071-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039324-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-11 | — | — | WO | disclosed |