Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 6/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 6/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.38 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5228044 | 0.87 | TACR1 (0.39) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL5228754 | 0.76 | GLA (0.51) | PDK1PDK2PDK3PDK4KMT2A | |
| SCHEMBL5228855 | 0.74 | DPP4 (0.49) | DPP4DPP7DPP8DPP9ALDH1A1 | |
| SCHEMBL344679 | 0.73 | ABCB1 (0.48) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL344678 | 0.73 | ABCB1 (0.48) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL9037209 | 0.70 | KLK7 (0.51) | PARP1KMT2AMEN1KLK7HTT | |
| SCHEMBL24109207 | 0.69 | ABCB1 (0.44) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL30315793 | 0.69 | PDK1 (0.51) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL30315726 | 0.69 | PDK1 (0.51) | PARP1PDK1PDK2PDK3PDK4 | |
| SCHEMBL5233907 | 0.68 | DPP4 (0.54) | DPP4DPP7DPP8DPP9ALDH1A1 |
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-1554280-B1 | ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS | MERCK & CO INC (US) | 2007-08-15 | — | — | EP | disclosed |