Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28033030 | 0.77 | ADRA2A (0.39) | CYP3A4ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL25417892 | 0.77 | DPP4 (0.42) | S1PR2S1PR1CYP3A4DPP4 | |
| SCHEMBL27912553 | 0.77 | DPP4 (0.42) | S1PR2S1PR1CYP3A4DPP4 | |
| SCHEMBL28183873 | 0.77 | DPP4 (0.42) | S1PR2S1PR1CYP3A4DPP4 | |
| SCHEMBL28183878 | 0.76 | S1PR2 (0.43) | S1PR2S1PR1CYP3A4DPP4 | |
| SCHEMBL26107941 | 0.73 | DPP4 (0.44) | S1PR2S1PR1CYP3A4DPP4 | |
| SCHEMBL27916012 | 0.73 | DPP4 (0.44) | S1PR2S1PR1CYP3A4DPP4 | |
| SCHEMBL25415095 | 0.73 | DPP4 (0.44) | S1PR2S1PR1CYP3A4DPP4 | |
| SCHEMBL744345 | 0.70 | DPP4 (0.39) | DPP4FFAR1 | |
| SCHEMBL12971465 | 0.70 | DPP4 (0.39) | DPP4FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107286164-B | Application of compound in preparation of sitagliptin and method for preparing sitagliptin | 武汉臻智生物科技有限公司 | 2021-08-03 | — | — | CN | disclosed |