Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | CLK3 | P49761 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | DYRK4 | Q9NR20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12354507 | 1.00 | PKM (0.39) | PKMHSD11B1THRBCYP2C9DPP4 | |
| SCHEMBL17337972 | 0.81 | THRB (0.45) | HSD11B1THRBCYP2C9ALDH1A1 | |
| SCHEMBL17337971 | 0.81 | THRB (0.45) | HSD11B1THRBCYP2C9ALDH1A1 | |
| SCHEMBL17338027 | 0.80 | THRB (0.44) | HSD11B1THRBCYP2C9ALDH1A1 | |
| SCHEMBL17338030 | 0.80 | THRB (0.44) | HSD11B1THRBCYP2C9ALDH1A1 | |
| SCHEMBL14847323 | 0.74 | PKM (0.47) | PKMHSD11B1DPP4MAPTHPGD | |
| Acrylic Acid SCHEMBL5146097 | 0.72 | PKM (0.45) | PKMHSD11B1THRBCYP2C9DPP4 | |
| SCHEMBL28390573 | 0.71 | DPP4 (0.55) | DPP4 | |
| SCHEMBL5607930 | 0.69 | PKM (0.42) | PKMHSD11B1DPP4MAPTHPGD | |
| SCHEMBL424418 | 0.67 | PKM (0.64) | PKMHSD11B1DPP4ALDH1A1NPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011101861-A1 | PROCESS FOR PREPARATION OF DPP-IV INHIBITORS | MSN LABORATORIES LIMITED (IN) | 2011-08-25 | — | — | WO | claimed |
| CN-108503571-B | Synthetic method of vildagliptin | 无锡科华生物科技有限公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-108503571-B | Synthetic method of vildagliptin | 无锡科华生物科技有限公司 | 2020-07-14 | — | — | CN | disclosed |
| CN-108658826-B | Method for preparing vildagliptin | 上海三牧化工技术有限公司 | 2020-05-12 | — | — | CN | disclosed |
| CN-108658826-B | Method for preparing vildagliptin | 上海三牧化工技术有限公司 | 2020-05-12 | — | — | CN | disclosed |
| WO-2011101861-A1 | PROCESS FOR PREPARATION OF DPP-IV INHIBITORS | MSN LABORATORIES LIMITED (IN) | 2011-08-25 | — | — | WO | disclosed |