Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.66 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PREP | P48147 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13099531 | 0.88 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1PREPMAPT | |
| SCHEMBL13108439 | 0.88 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1PREPMAPT | |
| SCHEMBL13099544 | 0.88 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1PREPMAPT | |
| SCHEMBL13099563 | 0.88 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1PREPMAPT | |
| SCHEMBL3264425 | 0.88 | HCRTR1 (0.82) | HCRTR1OPRK1ALDH1A1PREPMAPT | |
| SCHEMBL13397518 | 0.85 | OPRK1 (0.83) | HCRTR1OPRK1ALDH1A1MAPTHTT | |
| SCHEMBL13397568 | 0.84 | OPRK1 (0.69) | HCRTR1OPRK1ALDH1A1PREPMAPT | |
| SCHEMBL13397430 | 0.83 | HCRTR1 (0.52) | HCRTR1OPRK1ALDH1A1MAPTHTT | |
| SCHEMBL15743766 | 0.81 | HCRTR1 (0.70) | HCRTR1OPRK1ALDH1A1PREPMAPT | |
| SCHEMBL13099535 | 0.81 | HCRTR1 (0.70) | HCRTR1OPRK1ALDH1A1PREPMAPT |
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 |