Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K7 | O43318 | 5/20 | 0.53 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.52 |
| ▸ | EGFR | P00533 | 8/20 | 0.48 |
| ▸ | JAK3 | P52333 | 4/20 | 0.46 |
| ▸ | JAK2 | O60674 | 2/20 | 0.46 |
| ▸ | BLK | P51451 | 1/20 | 0.46 |
| ▸ | BMX | P51813 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22985908 | 0.88 | MAP3K7 (0.69) | MAP3K7MAP2K1EGFRJAK3JAK2 | |
| SCHEMBL18018862 | 0.81 | MAP3K7 (0.57) | MAP3K7MAP2K1EGFRJAK3JAK2 | |
| SCHEMBL18018787 | 0.80 | MAP3K7 (0.77) | MAP3K7MAP2K1EGFRJAK3JAK2 | |
| SCHEMBL22985872 | 0.80 | MAP3K7 (0.54) | MAP3K7MAP2K1EGFRJAK3JAK2 | |
| SCHEMBL18018907 | 0.80 | MAP3K7 (0.57) | MAP3K7MAP2K1EGFRJAK3JAK2 | |
| SCHEMBL18018922 | 0.80 | MAP3K7 (0.59) | MAP3K7MAP2K1EGFRJAK3JAK2 | |
| SCHEMBL23011296 | 0.79 | MAP3K7 (0.57) | MAP3K7MAP2K1EGFRJAK3JAK2 | |
| SCHEMBL18018878 | 0.72 | EGFR (0.79) | MAP3K7MAP2K1EGFRJAK3JAK2 | |
| SCHEMBL18018867 | 0.71 | MAP3K7 (0.73) | MAP3K7MAP2K1EGFRJAK3JAK2 | |
| SCHEMBL18018873 | 0.71 | MAP3K7 (0.68) | MAP3K7MAP2K1EGFRJAK3JAK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3778604-A1 | LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME | Dana Farber Cancer Institute, Inc. (US) | 2021-02-17 | — | — | EP | disclosed |
| EP-3778605-A2 | LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME | Dana Farber Cancer Institute, Inc. (US) | 2021-02-17 | — | — | EP | disclosed |