Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 12/20 | 0.51 |
| ▸ | SLC1A1 | P43005 | 5/20 | 0.48 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.48 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | LAP3 | P28838 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11232982 | 1.00 | DPP4 (0.51) | DPP4SLC1A1SLC1A3SLC1A2MEN1 | |
| SCHEMBL27943329 | 1.00 | DPP4 (0.51) | DPP4SLC1A1SLC1A3SLC1A2MEN1 | |
| SCHEMBL19500639 | 0.79 | DPP4 (0.62) | DPP4CYP3A4SLC15A1DPP7DPP8 | |
| SCHEMBL19500635 | 0.79 | DPP4 (0.62) | DPP4CYP3A4SLC15A1DPP7DPP8 | |
| SCHEMBL11190716 | 0.78 | SLC1A1 (0.54) | SLC1A1SLC1A3SLC1A2MEN1CYP1A2 | |
| SCHEMBL29619670 | 0.78 | DPP4 (0.49) | DPP4ALDH1A1CYP3A4LTA4HLAP3 | |
| SCHEMBL28055243 | 0.77 | DPP4 (0.49) | DPP4SLC1A1SLC1A3SLC1A2CYP3A4 | |
| SCHEMBL11221173 | 0.77 | DPP4 (0.49) | DPP4SLC1A1SLC1A3SLC1A2CYP3A4 | |
| SCHEMBL27899116 | 0.77 | DPP4 (0.49) | DPP4SLC1A1SLC1A3SLC1A2CYP3A4 | |
| SCHEMBL27501469 | 0.77 | SLC1A1 (0.56) | SLC1A1SLC1A3SLC1A2MEN1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105294479-A | Preparation method of 3R-amino substituted butyrylamide derivative | XINFA PHARMACEUTICAL CO LTD | 2016-02-03 | — | — | CN | disclosed |
| CN-105061434-A | Low-cost preparation method of sitagliptin phosphate | XINFA PHARMACEUTICAL CO LTD | 2015-11-18 | — | — | CN | disclosed |