Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.87 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.65 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.53 |
| ▸ | PREP | P48147 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13398345 | 1.00 | ALDH1A1 (0.87) | ALDH1A1HCRTR1OPRK1PREPL3MBTL1 | |
| SCHEMBL13108375 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HCRTR1OPRK1PREPL3MBTL1 | |
| SCHEMBL13099473 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HCRTR1OPRK1PREPL3MBTL1 | |
| SCHEMBL13108369 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HCRTR1OPRK1PREPL3MBTL1 | |
| SCHEMBL13099475 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HCRTR1OPRK1PREPL3MBTL1 | |
| SCHEMBL3107219 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HCRTR1OPRK1PREPL3MBTL1 | |
| SCHEMBL13099474 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HCRTR1OPRK1PREPL3MBTL1 | |
| SCHEMBL13108445 | 0.81 | OPRK1 (0.76) | ALDH1A1HCRTR1OPRK1PREPMEN1 | |
| SCHEMBL13099583 | 0.81 | OPRK1 (0.76) | ALDH1A1HCRTR1OPRK1PREPMEN1 | |
| SCHEMBL3264452 | 0.81 | ALDH1A1 (0.78) | ALDH1A1HCRTR1OPRK1PREPMEN1 |
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 |