Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18009276 | 0.82 | HCAR2 (0.41) | CTSCKDM4EALDH1A1MAPTPIM1 | |
| SCHEMBL18009452 | 0.81 | DPP4 (0.45) | CTSCKDM4EALDH1A1MAPTHTT | |
| SCHEMBL18009286 | 0.79 | HCAR2 (0.41) | CTSC | |
| SCHEMBL18009459 | 0.78 | CTSC (0.49) | CTSCALDH1A1MAPT | |
| SCHEMBL18009187 | 0.77 | HCAR2 (0.36) | CTSC | |
| SCHEMBL18009201 | 0.75 | HCAR2 (0.39) | CTSC | |
| SCHEMBL23260557 | 0.74 | HRH3 (0.50) | CTSCKDM4ESLC6A3ALDH1A1MAPT | |
| SCHEMBL3961763 | 0.74 | HRH3 (0.50) | CTSCKDM4ESLC6A3ALDH1A1MAPT | |
| SCHEMBL18009198 | 0.74 | HCAR2 (0.38) | CTSC | |
| SCHEMBL950955 | 0.74 | HRH3 (0.50) | CTSCKDM4ESLC6A3ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016127186-A1 | FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-08-11 | — | — | WO | disclosed |