Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.59 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | SI | P14410 | 4/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 4/20 | 0.38 |
| ▸ | CTSA | P10619 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL365241 | 1.00 | GPBAR1 (0.59) | GPBAR1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL10291761 | 0.90 | GPBAR1 (0.57) | GPBAR1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL364037 | 0.89 | GPBAR1 (0.72) | GPBAR1NR3C2MGAMGAASI | |
| SCHEMBL363087 | 0.89 | GPBAR1 (0.72) | GPBAR1NR3C2MGAMGAASI | |
| SCHEMBL1390446 | 0.89 | GPBAR1 (0.62) | GPBAR1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1390447 | 0.89 | GPBAR1 (0.62) | GPBAR1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1390158 | 0.88 | GPBAR1 (0.77) | GPBAR1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1390156 | 0.88 | GPBAR1 (0.77) | GPBAR1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1390154 | 0.88 | GPBAR1 (0.77) | GPBAR1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL362390 | 0.88 | GPBAR1 (0.77) | GPBAR1PSEN1PSEN2APH1BNCSTN |
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 |