Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.49 |
| ▸ | RXRA | P19793 | 3/20 | 0.37 |
| ▸ | RXRB | P28702 | 3/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | SI | P14410 | 2/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.34 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 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 | |
|---|---|---|---|---|
| SCHEMBL362457 | 0.89 | GPBAR1 (0.48) | GPBAR1RXRARXRBBRD4ITK | |
| SCHEMBL362545 | 0.88 | GPBAR1 (0.66) | GPBAR1RXRARXRBBRD4MGAM | |
| SCHEMBL363349 | 0.88 | GPBAR1 (0.66) | GPBAR1RXRARXRBBRD4MGAM | |
| SCHEMBL364601 | 0.88 | GPBAR1 (0.66) | GPBAR1RXRARXRBBRD4MGAM | |
| SCHEMBL362527 | 0.85 | GPBAR1 (0.55) | GPBAR1RXRARXRBBRD4ADRB3 | |
| SCHEMBL363178 | 0.85 | GPBAR1 (0.51) | GPBAR1RXRARXRBBRD4ADRB3 | |
| SCHEMBL363235 | 0.85 | GPBAR1 (0.51) | GPBAR1RXRARXRBBRD4MAP4K4 | |
| SCHEMBL363444 | 0.85 | GPBAR1 (0.55) | GPBAR1RXRARXRBBRD4MGAM | |
| SCHEMBL362281 | 0.85 | GPBAR1 (0.48) | GPBAR1RXRARXRBBRD4MAP4K4 | |
| SCHEMBL363678 | 0.84 | GPBAR1 (0.61) | GPBAR1BRD4ALDH1A1MGAMGAA |
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-2593426-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007365-A1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |