Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | PRCP | P42785 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL18009199 | 0.86 | CTSC (0.36) | CTSCKEAP1NFE2L2HCAR2PRCP | |
| SCHEMBL18009198 | 0.81 | HCAR2 (0.38) | CTSCKEAP1NFE2L2HCAR2L3MBTL1 | |
| SCHEMBL18009456 | 0.79 | KEAP1 (0.32) | KEAP1NFE2L2HCAR2 | |
| SCHEMBL18009276 | 0.78 | HCAR2 (0.41) | CTSCKEAP1NFE2L2HCAR2MAPT | |
| SCHEMBL18009286 | 0.78 | HCAR2 (0.41) | CTSCKEAP1NFE2L2HCAR2ATM | |
| SCHEMBL18009459 | 0.78 | CTSC (0.49) | CTSCMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL18009201 | 0.77 | HCAR2 (0.39) | CTSCKEAP1NFE2L2HCAR2 | |
| SCHEMBL25111574 | 0.76 | MEN1 (0.40) | CTSCMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL18009447 | 0.74 | HCAR2 (0.34) | CTSCKEAP1NFE2L2HCAR2 | |
| SCHEMBL18009187 | 0.74 | HCAR2 (0.36) | CTSCKEAP1NFE2L2HCAR2 |
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 |