Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | LTA4H | P09960 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.38 |
| ▸ | LAP3 | P28838 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28284788 | 1.00 | DPP4 (0.41) | DPP4KMT2ASMN1; SMN2TDP1SLC6A2 | |
| SCHEMBL28055241 | 0.77 | DPP4 (0.37) | DPP4 | |
| SCHEMBL27501468 | 0.77 | ALDH1A1 (0.51) | KMT2ASMN1; SMN2TDP1SLC6A2SLC6A3 | |
| SCHEMBL28937621 | 0.77 | FFAR1 (0.33) | DPP4TDP1 | |
| SCHEMBL28321679 | 0.76 | SLC1A3 (0.54) | KMT2ASMN1; SMN2TDP1SLC6A2SLC6A3 | |
| SCHEMBL29619670 | 0.73 | DPP4 (0.49) | DPP4ALDH1A1LTA4HLAP3 | |
| SCHEMBL11232982 | 0.72 | DPP4 (0.51) | DPP4KMT2AALDH1A1LTA4HSLC15A1 | |
| SCHEMBL28032955 | 0.72 | DPP4 (0.51) | DPP4KMT2AALDH1A1LTA4HSLC15A1 | |
| SCHEMBL27943329 | 0.72 | DPP4 (0.51) | DPP4KMT2AALDH1A1LTA4HSLC15A1 | |
| SCHEMBL10277201 | 0.72 | CASP1 (0.46) | — |
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 |