Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALKBH3 | Q96Q83 | 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 | |
|---|---|---|---|---|
| SCHEMBL13494486 | 0.87 | NOTUM (0.44) | KMT2AKDM4EMEN1ALDH1A1HSD11B1 | |
| SCHEMBL30487478 | 0.86 | NOTUM (0.47) | HSD11B1AHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL680179 | 0.86 | NOTUM (0.47) | HSD11B1AHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL284409 | 0.86 | ESR2 (0.47) | KMT2AMEN1ALDH1A1ESR2ESR1 | |
| SCHEMBL27395925 | 0.85 | NOTUM (0.43) | KMT2AKDM4EMEN1ALDH1A1HSD11B1 | |
| SCHEMBL10827247 | 0.84 | AHR (0.43) | HSD11B1AHRGRM2MAPTNPC1 | |
| SCHEMBL12497363 | 0.84 | NOTUM (0.48) | HSD11B1AHRSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL18722306 | 0.84 | ESR2 (0.45) | KMT2AMEN1ALDH1A1ESR2ESR1 | |
| SCHEMBL5280419 | 0.83 | AHR (0.42) | KMT2AALDH1A1GFERAHRGRM2 | |
| SCHEMBL13906326 | 0.83 | HSD11B1 (0.47) | KMT2AKDM4EMEN1ALDH1A1PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013050938-A1 | 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-11 | — | — | WO | disclosed |