Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Methane SCHEMBL16963122 | 0.77 | ALDH1A1 (0.35) | SMN1; SMN2ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL319324 | 0.71 | MEN1 (0.39) | ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL15608889 | 0.68 | SMN1; SMN2 (0.36) | SMN1; SMN2ALDH1A1MAPTNOS1KDM4E | |
| Methane SCHEMBL16963064 | 0.67 | SMN1; SMN2 (0.32) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL5021114 | 0.66 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1MAPTNOS1KDM4E | |
| SCHEMBL15608591 | 0.66 | SMN1; SMN2 (0.36) | SMN1; SMN2ALDH1A1MAPTNOS1KDM4E | |
| SCHEMBL15608725 | 0.64 | SMN1; SMN2 (0.37) | SMN1; SMN2ALDH1A1MAPTNOS1KDM4E | |
| Methane SCHEMBL16962706 | 0.64 | SMN1; SMN2 (0.30) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL15528272 | 0.64 | SMN1; SMN2 (0.49) | SMN1; SMN2ALDH1A1MAPTNOS1KDM4E | |
| SCHEMBL15609115 | 0.63 | SMN1; SMN2 (0.36) | SMN1; SMN2ALDH1A1MAPTNOS1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3119775-A1 | OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2017-01-25 | — | — | EP | disclosed |
| WO-2015140189-A1 | OXEPAN-2-YL-PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-24 | — | — | WO | disclosed |