Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 12/20 | 0.34 |
| ▸ | CTSS | P25774 | 9/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31047180 | 0.82 | DGAT1 (0.41) | DGAT1CTSKCTSSMEN1KMT2A | |
| SCHEMBL27475397 | 0.79 | DGAT1 (0.43) | DGAT1CTSKCTSSCTSLCTSB | |
| SCHEMBL28408720 | 0.79 | — | — | |
| SCHEMBL28408723 | 0.79 | — | — | |
| SCHEMBL27811687 | 0.78 | DGAT1 (0.35) | DGAT1CTSKCTSSCTSLCTSB | |
| SCHEMBL4448260 | 0.77 | DGAT1 (0.41) | DGAT1 | |
| SCHEMBL4449736 | 0.77 | DGAT1 (0.41) | DGAT1 | |
| SCHEMBL9755814 | 0.76 | DGAT1 (0.44) | DGAT1CTSKCTSSCTSLCTSB | |
| SCHEMBL28441433 | 0.74 | TSHR (0.36) | MEN1KMT2AMAPT | |
| SCHEMBL28242894 | 0.74 | MEN1 (0.53) | MEN1KMT2AALDH1A1MAPT |
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-110041330-B | Environment-friendly preparation method of istradefylline | 新发药业有限公司 | 2020-08-11 | — | — | CN | claimed |
| CN-110041330-B | Environment-friendly preparation method of istradefylline | 新发药业有限公司 | 2020-08-11 | — | — | CN | disclosed |