Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 7/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | RAD52 | P43351 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KHK | P50053 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4577137 | 0.85 | CHRNA7 (0.49) | CHRNA7DRD2GAARAD52KDM4E | |
| SCHEMBL4577142 | 0.85 | CHRNA7 (0.49) | CHRNA7DRD2GAARAD52KDM4E | |
| SCHEMBL10190899 | 0.84 | AGXT (0.61) | DRD2GAAKDM4EMAPTGFER | |
| SCHEMBL8349954 | 0.84 | PRMT6 (0.59) | GAAKDM4EMAPTAGXT | |
| SCHEMBL10190904 | 0.83 | PRMT6 (0.62) | GAAKDM4EMAPTAGXT | |
| SCHEMBL8352403 | 0.83 | DRD2 (0.50) | DRD2SIGMAR1DRD3AGXT | |
| SCHEMBL8348977 | 0.82 | DRD2 (0.52) | DRD2MAPTSIGMAR1AGXT | |
| SCHEMBL2376462 | 0.81 | CHRNA7 (0.59) | CHRNA7DRD2GAARAD52KDM4E | |
| SCHEMBL8349952 | 0.81 | KHK (0.45) | KDM4EMAPTSMN1; SMN2KHKAGXT | |
| SCHEMBL20671914 | 0.80 | ADRB1 (0.57) | DRD2MAPTSIGMAR1DRD3 |
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-2003020278-A1 | CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES | NOVARTIS AG (CH) | 2003-03-13 | — | — | WO | disclosed |