Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | PREP | P48147 | 4/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15743773 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 | |
| SCHEMBL15743769 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 | |
| SCHEMBL13108678 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 | |
| SCHEMBL13099559 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 | |
| SCHEMBL15743775 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 | |
| SCHEMBL13108671 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 | |
| SCHEMBL13108441 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 | |
| SCHEMBL13108673 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 | |
| SCHEMBL13099556 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 | |
| SCHEMBL13099560 | 0.88 | ALDH1A1 (0.54) | HCRTR1PREPOPRK1ALDH1A1 |
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 |