Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 4/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD5 | P21918 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL791288 | 0.98 | CYP2D6 (0.55) | CYP2D6CYP2C19ALDH1A1LTA4HSIGMAR1 | |
| SCHEMBL9254022 | 0.89 | HRH3 (0.62) | CYP2D6CYP2C19ALDH1A1SIGMAR1HRH3 | |
| SCHEMBL4373217 | 0.88 | SIGMAR1 (0.56) | ALDH1A1SIGMAR1KMT2A | |
| SCHEMBL791561 | 0.87 | HRH3 (0.61) | CYP2D6CYP2C19ALDH1A1SIGMAR1HRH3 | |
| SCHEMBL18926549 | 0.87 | LTA4H (0.59) | ALDH1A1LTA4HSIGMAR1HRH3HRH1 | |
| SCHEMBL11790830 | 0.85 | LMNA (0.64) | SIGMAR1DRD2DRD3KMT2A | |
| SCHEMBL15308540 | 0.85 | CYP2A13 (0.66) | SIGMAR1DRD1DRD4DRD5KMT2A | |
| SCHEMBL20124587 | 0.82 | L3MBTL1 (0.55) | CYP2D6CYP2C19ALDH1A1LTA4HSIGMAR1 | |
| SCHEMBL19043759 | 0.82 | LTA4H (0.51) | CYP2D6CYP2C19ALDH1A1LTA4HSIGMAR1 | |
| SCHEMBL11267638 | 0.80 | CYP2D6 (0.66) | CYP2D6CYP2C19ALDH1A1HRH3TDP1 |
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-2009117150-A2 | METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES | GENZYME CORPORATION (US) | 2009-09-24 | — | — | WO | disclosed |