Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | PREP | P48147 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13099493 | 1.00 | HCRTR1 (0.65) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 | |
| SCHEMBL13108667 | 1.00 | HCRTR1 (0.65) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 | |
| SCHEMBL13108594 | 0.86 | HCRTR1 (0.59) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 | |
| SCHEMBL13099513 | 0.86 | HCRTR1 (0.59) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 | |
| SCHEMBL15978272 | 0.82 | ALDH1A1 (0.78) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 | |
| SCHEMBL3264452 | 0.82 | ALDH1A1 (0.78) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 | |
| SCHEMBL13099472 | 0.82 | ALDH1A1 (0.78) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 | |
| SCHEMBL13108582 | 0.82 | ALDH1A1 (0.78) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 | |
| SCHEMBL13108370 | 0.82 | ALDH1A1 (0.78) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 | |
| SCHEMBL13108434 | 0.82 | HCRTR1 (0.63) | HCRTR1ALDH1A1KMT2AMEN1OPRK1 |
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 |