Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 7/20 | 0.67 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13099517 | 1.00 | PREP (0.67) | PREPHCRTR1OPRK1ALDH1A1SIGMAR1 | |
| SCHEMBL13108460 | 1.00 | PREP (0.67) | PREPHCRTR1OPRK1ALDH1A1SIGMAR1 | |
| SCHEMBL13108461 | 0.89 | PREP (0.68) | PREPHCRTR1OPRK1ALDH1A1MEN1 | |
| SCHEMBL3263719 | 0.89 | PREP (0.68) | PREPHCRTR1OPRK1ALDH1A1MEN1 | |
| SCHEMBL13099509 | 0.89 | PREP (0.68) | PREPHCRTR1OPRK1ALDH1A1MEN1 | |
| SCHEMBL13108457 | 0.84 | HCRTR1 (0.63) | PREPHCRTR1OPRK1ALDH1A1MEN1 | |
| SCHEMBL13108434 | 0.84 | HCRTR1 (0.63) | PREPHCRTR1OPRK1ALDH1A1MEN1 | |
| SCHEMBL13099541 | 0.84 | HCRTR1 (0.63) | PREPHCRTR1OPRK1ALDH1A1MEN1 | |
| SCHEMBL13099572 | 0.84 | HCRTR1 (0.63) | PREPHCRTR1OPRK1ALDH1A1MEN1 | |
| SCHEMBL13108372 | 0.84 | HCRTR1 (0.63) | PREPHCRTR1OPRK1ALDH1A1MEN1 |
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 |