Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6775893 | 0.96 | OPRM1 (0.49) | SIGMAR1OPRM1HRH3FAAHOPRD1 | |
| SCHEMBL6775421 | 0.88 | OPRM1 (0.40) | SIGMAR1OPRM1HRH3 | |
| SCHEMBL6784327 | 0.85 | SIGMAR1 (0.47) | SIGMAR1 | |
| SCHEMBL6784683 | 0.84 | OPRM1 (0.41) | SIGMAR1OPRM1HRH3OPRD1OPRK1 | |
| SCHEMBL6779579 | 0.82 | BCHE (0.42) | SIGMAR1OPRM1 | |
| SCHEMBL6779637 | 0.78 | CHRNB2 (0.39) | OPRM1OPRK1 | |
| SCHEMBL6779144 | 0.77 | SIGMAR1 (0.50) | SIGMAR1 | |
| SCHEMBL6780693 | 0.76 | SIGMAR1 (0.42) | SIGMAR1OPRM1HRH3 | |
| SCHEMBL6774415 | 0.74 | BCHE (0.39) | SIGMAR1OPRM1 | |
| SCHEMBL14410729 | 0.73 | CHRM2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6818643-B1 | 3,9-DIAZABICYCLO(3.3.1)NONAN-2-ONE DERIVATIVES; PEPTIDYL-PROLYL ISOMERASE (PPIASE OR ROTAMASE) INHIBITORS; NEUROPROTECTIVE AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-16 | — | — | US | disclosed |