Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 7/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.40 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL361906 | 0.88 | GPBAR1 (0.57) | CNR2GPBAR1ALDH1A1MGAMGAA | |
| SCHEMBL363744 | 0.85 | GPBAR1 (0.63) | CNR2GPBAR1ALDH1A1TSHRGAA | |
| SCHEMBL10240902 | 0.85 | GPBAR1 (0.63) | CNR2GPBAR1ALDH1A1TSHRGAA | |
| SCHEMBL1389733 | 0.85 | GPBAR1 (0.63) | CNR2GPBAR1ALDH1A1TSHRGAA | |
| SCHEMBL363384 | 0.83 | MGAM (0.51) | GPBAR1ALDH1A1MGAMGAASI | |
| SCHEMBL15949034 | 0.81 | GPBAR1 (0.42) | GPBAR1ALDH1A1MGAMGAASI | |
| SCHEMBL15949005 | 0.80 | GPBAR1 (0.49) | GPBAR1ALDH1A1MGAMGAASI | |
| SCHEMBL15949055 | 0.78 | GPBAR1 (0.48) | GPBAR1ALDH1A1MGAMGAASI | |
| SCHEMBL15949095 | 0.77 | HPGD (0.44) | CNR2GPBAR1ALDH1A1TSHRMGAM | |
| SCHEMBL15949146 | 0.76 | PLOD2 (0.50) | GPBAR1ALDH1A1MGAMGAASI |
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-2593426-B1 | 1-HYDROXYIMINO-3-PHENYL-PROPANES | HOFFMANN LA ROCHE (CH) | 2014-08-20 | — | — | EP | claimed |