Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24890720 | 0.92 | CNR2 (0.36) | ALOX5CA14NFKB1NFKB2RELA | |
| SCHEMBL7186502 | 0.86 | ALOX5 (0.41) | ALOX5EPHX1CTSSCTSKGAA | |
| SCHEMBL6680983 | 0.84 | CTSK (0.37) | ALOX5EPHX1CTSSCTSKGAA | |
| SCHEMBL1845039 | 0.84 | SSTR4 (0.38) | ALOX5EPHX1CTSSCTSKGAA | |
| SCHEMBL1843886 | 0.84 | EPHX1 (0.38) | ALOX5EPHX1CTSSCTSKGAA | |
| SCHEMBL4669068 | 0.84 | CTSD (0.35) | CTSSCA14NFKB1NFKB2RELA | |
| SCHEMBL7505005 | 0.84 | CHRM1 (0.35) | OPRD1SLC6A4CA14NFKB1NFKB2 | |
| SCHEMBL25736665 | 0.83 | ALOX5 (0.36) | ALOX5EPHX1CTSSCTSKGAA | |
| SCHEMBL25327088 | 0.83 | ALDH1A1 (0.41) | ALOX5CA14NFKB1NFKB2RELA | |
| SCHEMBL2810316 | 0.83 | CTSS (0.35) | ALOX5EPHX1CTSSCTSKHTR2C |
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-2001876-A2 | 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007103187-A2 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2007-09-13 | — | — | WO | disclosed |