Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 14/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | WDR77 | Q9BQA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL21940581 | 0.86 | S1PR2 (0.55) | S1PR2CYP2C19CYP3A4ALDH1A1L3MBTL1 | |
| SCHEMBL20606921 | 0.85 | S1PR2 (0.49) | S1PR2CYP2C19CYP3A4ALDH1A1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL20606941 | 0.84 | S1PR2 (0.48) | S1PR2CYP2C19CYP3A4ALDH1A1L3MBTL1 | |
| SCHEMBL20606852 | 0.78 | S1PR2 (0.82) | S1PR2 | |
| SCHEMBL21940244 | 0.78 | S1PR2 (0.68) | S1PR2 | |
| SCHEMBL20606878 | 0.78 | S1PR2 (0.73) | S1PR2SMN1; SMN2 | |
| SCHEMBL20606887 | 0.77 | S1PR2 (0.50) | S1PR2CYP2C19CYP3A4ALDH1A1L3MBTL1 | |
| SCHEMBL20606817 | 0.77 | S1PR2 (0.83) | S1PR2 | |
| SCHEMBL20606898 | 0.76 | S1PR2 (0.71) | S1PR2 | |
| SCHEMBL20606830 | 0.73 | CYP2C19 (0.43) | S1PR2CYP2C19CYP3A4ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3423445-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2020-04-01 | — | — | EP | disclosed |