Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6774415 | 0.88 | BCHE (0.39) | BCHEACHEBACE1OPRM1FKBP1A | |
| SCHEMBL6784327 | 0.87 | SIGMAR1 (0.47) | SIGMAR1TSHRALDH1A1 | |
| SCHEMBL6775893 | 0.85 | OPRM1 (0.49) | OPRM1SIGMAR1 | |
| SCHEMBL6779144 | 0.84 | SIGMAR1 (0.50) | ACHESIGMAR1TSHRALDH1A1 | |
| SCHEMBL6781973 | 0.82 | SIGMAR1 (0.46) | OPRM1SIGMAR1 | |
| SCHEMBL6784175 | 0.79 | SIGMAR1 (0.45) | FKBP1ASIGMAR1TSHRALDH1A1 | |
| SCHEMBL6780165 | 0.78 | SIGMAR1 (0.46) | SIGMAR1MAPTTSHRALDH1A1 | |
| SCHEMBL6775421 | 0.78 | OPRM1 (0.40) | OPRM1SIGMAR1MEN1KMT2AALDH1A1 | |
| SCHEMBL6778077 | 0.77 | SIGMAR1 (0.44) | SIGMAR1KMT2AMAPTTSHRALDH1A1 | |
| SCHEMBL6776757 | 0.77 | FKBP1A (0.47) | OPRM1FKBP1AKMT2AMAPTALDH1A1 |
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 |