Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL63432 | 0.83 | FUCA1 (0.58) | GBA1CYP2D6FUCA1S1PR1S1PR5 | |
| SCHEMBL51716 | 0.83 | FUCA1 (0.58) | GBA1CYP2D6FUCA1S1PR1S1PR5 | |
| SCHEMBL21593437 | 0.79 | L3MBTL1 (0.49) | S1PR1S1PR5ALDH1A1 | |
| SCHEMBL3582865 | 0.78 | FUCA1 (0.63) | GBA1CYP2D6FUCA1S1PR1S1PR5 | |
| SCHEMBL63254 | 0.74 | GBA1 (0.40) | GBA1CYP2D6FUCA1S1PR1S1PR5 | |
| SCHEMBL51914 | 0.74 | GBA1 (0.40) | GBA1CYP2D6FUCA1S1PR1S1PR5 | |
| SCHEMBL13691569 | 0.74 | GBA1 (0.40) | GBA1CYP2D6FUCA1S1PR1S1PR5 | |
| SCHEMBL52152 | 0.73 | GBA1 (0.47) | GBA1CYP2D6FUCA1S1PR1S1PR5 | |
| SCHEMBL87320 | 0.73 | GBA1 (0.47) | GBA1CYP2D6FUCA1S1PR1S1PR5 | |
| SCHEMBL5640368 | 0.72 | CYP2D6 (0.65) | GBA1CYP2D6FUCA1SIGMAR1ALDH1A1 |
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-2019238424-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2019-12-19 | — | — | WO | disclosed |