Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | PDE4A | P27815 | 3/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | EBP | Q15125 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6778077 | 0.95 | SIGMAR1 (0.44) | SIGMAR1POLBMAPK1PDE4APDE4B | |
| SCHEMBL6784175 | 0.94 | SIGMAR1 (0.45) | SIGMAR1POLBMAPK1PDE4APDE4B | |
| SCHEMBL6779144 | 0.88 | SIGMAR1 (0.50) | SIGMAR1POLBMAPK1PDE4APDE4B | |
| SCHEMBL6774415 | 0.87 | BCHE (0.39) | SIGMAR1ALDH1A1MAPT | |
| SCHEMBL6784327 | 0.85 | SIGMAR1 (0.47) | SIGMAR1POLBMAPK1PDE4APDE4B | |
| SCHEMBL6779167 | 0.81 | SIGMAR1 (0.46) | SIGMAR1POLBMAPK1PDE4APDE4B | |
| SCHEMBL6784683 | 0.81 | OPRM1 (0.41) | SIGMAR1ALDH1A1 | |
| SCHEMBL6779579 | 0.78 | BCHE (0.42) | SIGMAR1ALDH1A1TSHRMAPT | |
| SCHEMBL6776517 | 0.78 | FKBP5 (0.45) | SIGMAR1POLBMAPK1PDE4APDE4B | |
| SCHEMBL6775893 | 0.72 | OPRM1 (0.49) | SIGMAR1 |
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 |