Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 10/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | FLT3 | P36888 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.31 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21940576 | 0.84 | KDM4E (0.39) | S1PR2CYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL20606814 | 0.81 | S1PR2 (0.42) | S1PR2IDH1CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL21940283 | 0.80 | IDH1 (0.37) | S1PR2IDH1CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL20606887 | 0.79 | S1PR2 (0.50) | S1PR2IDH1CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL20606795 | 0.76 | S1PR2 (0.39) | S1PR2IDH1CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL21940484 | 0.76 | CYP2C19 (0.43) | S1PR2CYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL21940579 | 0.76 | S1PR2 (0.40) | S1PR2IDH1CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL21819827 | 0.73 | S1PR2 (0.41) | S1PR2CYP2C19CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL21940479 | 0.68 | CYP2C19 (0.41) | S1PR2IDH1CYP2C19CYP3A4CYP1A2 | |
| SCHEMBL21940483 | 0.68 | P4HTM (0.36) | P4HTM |
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 |