Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP5 | Q13451 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL6780351 | 0.85 | KMT2A (0.40) | POLBFKBP1AL3MBTL1KMT2A | |
| SCHEMBL6778877 | 0.84 | FKBP5 (0.51) | FKBP5POLBNPC1TP53RAB9A | |
| SCHEMBL6778408 | 0.83 | FKBP5 (0.50) | FKBP5POLBNPC1TP53RAB9A | |
| SCHEMBL15436137 | 0.79 | FKBP5 (0.49) | FKBP5POLBNPC1TP53RAB9A | |
| SCHEMBL6775961 | 0.78 | KMT2A (0.42) | FKBP5POLBFKBP1AL3MBTL1KMT2A | |
| SCHEMBL6780165 | 0.78 | SIGMAR1 (0.46) | POLBNPC1TP53RAB9AALDH1A1 | |
| SCHEMBL6785002 | 0.77 | KMT2A (0.41) | FKBP5POLBFKBP1AL3MBTL1KMT2A | |
| SCHEMBL6778841 | 0.77 | KMT2A (0.41) | FKBP5POLBFKBP1AL3MBTL1KMT2A | |
| SCHEMBL6776495 | 0.76 | FKBP5 (0.51) | FKBP5FKBP1AKMT2A | |
| SCHEMBL6784892 | 0.76 | FKBP1A (0.48) | FKBP5FKBP1AALDH1A1 |
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 |