Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PREP | P48147 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13398090 | 0.87 | PREP (0.49) | HCRTR1OPRK1ALDH1A1HTTMAPT | |
| SCHEMBL13099563 | 0.87 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1HTTMAPT | |
| SCHEMBL13099544 | 0.87 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1HTTMAPT | |
| SCHEMBL13108439 | 0.87 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1HTTMAPT | |
| SCHEMBL13099531 | 0.87 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1HTTMAPT | |
| SCHEMBL3264425 | 0.87 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1HTTMAPT | |
| SCHEMBL15743766 | 0.79 | HCRTR1 (0.70) | HCRTR1OPRK1ALDH1A1HTTMAPT | |
| SCHEMBL13099535 | 0.79 | HCRTR1 (0.70) | HCRTR1OPRK1ALDH1A1HTTMAPT | |
| SCHEMBL13397600 | 0.78 | HCRTR1 (0.66) | HCRTR1OPRK1ALDH1A1HTTMAPT | |
| SCHEMBL13397482 | 0.77 | HCRTR1 (0.42) | HCRTR1OPRK1ALDH1A1PKMGAA |
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 |