Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.83 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | PREP | P48147 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | FPR3 | P25089 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13108371 | 1.00 | OPRK1 (0.83) | OPRK1HCRTR1ALDH1A1PREPMAPT | |
| SCHEMBL13099565 | 1.00 | OPRK1 (0.83) | OPRK1HCRTR1ALDH1A1PREPMAPT | |
| SCHEMBL13397568 | 0.91 | OPRK1 (0.69) | OPRK1HCRTR1ALDH1A1PREPMAPT | |
| SCHEMBL13099539 | 0.91 | OPRK1 (1.00) | OPRK1HCRTR1ALDH1A1PREPMAPT | |
| SCHEMBL13099569 | 0.91 | OPRK1 (1.00) | OPRK1HCRTR1ALDH1A1PREPMAPT | |
| SCHEMBL13099552 | 0.91 | OPRK1 (1.00) | OPRK1HCRTR1ALDH1A1PREPMAPT | |
| SCHEMBL13108374 | 0.91 | OPRK1 (1.00) | OPRK1HCRTR1ALDH1A1PREPMAPT | |
| SCHEMBL13108382 | 0.91 | OPRK1 (1.00) | OPRK1HCRTR1ALDH1A1PREPMAPT | |
| SCHEMBL13099573 | 0.91 | OPRK1 (1.00) | OPRK1HCRTR1ALDH1A1PREPMAPT | |
| SCHEMBL13099594 | 0.90 | OPRK1 (0.83) | OPRK1HCRTR1ALDH1A1PREPMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010037050-A2 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | UNIVERSITY OF KANSAS (US) | 2010-04-01 | — | — | WO | disclosed |