Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.37 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | WDR5 | P61964 | 2/20 | 0.34 |
| ▸ | ATR | Q13535 | 2/20 | 0.34 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21940285 | 0.84 | S1PR2 (0.40) | S1PR2SMN1; SMN2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL21941069 | 0.81 | SOS1 (0.37) | KDM4ES1PR2SOS1PIK3CDCYP2C19 | |
| SCHEMBL20606887 | 0.78 | S1PR2 (0.50) | S1PR2SMN1; SMN2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL20606795 | 0.76 | S1PR2 (0.39) | S1PR2SMN1; SMN2CYP2C19CYP3A4WDR5 | |
| SCHEMBL20606814 | 0.75 | S1PR2 (0.42) | S1PR2SMN1; SMN2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL21940579 | 0.75 | S1PR2 (0.40) | S1PR2SMN1; SMN2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL21940484 | 0.75 | CYP2C19 (0.43) | S1PR2SMN1; SMN2CYP2C19CYP3A4WDR5 | |
| SCHEMBL21819827 | 0.73 | S1PR2 (0.41) | S1PR2SMN1; SMN2CYP2C19CYP3A4ALDH1A1 | |
| SCHEMBL25345708 | 0.70 | ALDH1A1 (0.48) | KDM4ESOS1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL21940479 | 0.67 | CYP2C19 (0.41) | S1PR2SMN1; SMN2CYP2C19CYP3A4ALDH1A1 |
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 |