Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 4/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4970893 | 0.77 | SLC6A4 (0.37) | HTR2CSLC6A4EPHX1GAAHDAC4 | |
| SCHEMBL4970890 | 0.77 | SLC6A4 (0.37) | HTR2CSLC6A4EPHX1GAAHDAC4 | |
| SCHEMBL1857659 | 0.77 | SLC6A4 (0.37) | HTR2CSLC6A4EPHX1GAAHDAC4 | |
| SCHEMBL1863892 | 0.75 | SLC6A4 (0.35) | HTR2CSLC6A4EPHX1GAAHTR2A | |
| SCHEMBL15565348 | 0.74 | CTSK (0.38) | CTSKHDAC1HDAC6CACNA1B | |
| SCHEMBL2990720 | 0.73 | CTSK (0.41) | HTR2CSLC6A4EPHX1CTSKHTR2A | |
| SCHEMBL13423780 | 0.73 | CTSK (0.36) | CTSKHDAC1HDAC6CACNA1B | |
| SCHEMBL3770470 | 0.73 | CTSK (0.37) | HTR2CSLC6A4CTSKHTR2ACTSS | |
| SCHEMBL3770473 | 0.73 | CTSK (0.37) | HTR2CSLC6A4CTSKHTR2ACTSS | |
| SCHEMBL499190 | 0.72 | CTSK (0.40) | HTR2CSLC6A4CTSKHTR2ACTSS |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2195314-A1 | DISUBSTITUTED ALKYL-8-AZABICYCLO [3.2.1.]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009029257-A1 | DISUBSTITUTED ALKYL-8-AZABICYCLO [3.2.1.] OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2009-03-05 | — | — | WO | disclosed |