Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 7/20 | 0.38 |
| ▸ | SSTR1 | P30872 | 5/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10098777 | 0.90 | CHRNB4 (0.54) | CHRNB4CHRNA3EPHX2DRD2HTR2A | |
| SCHEMBL25144361 | 0.86 | SIGMAR1 (0.44) | CHRNB4CHRNA3EPHX2KDM4ESSTR4 | |
| SCHEMBL18347953 | 0.83 | KDM5A (0.45) | KDM4ESSTR4SSTR1 | |
| SCHEMBL16078081 | 0.83 | KDM5A (0.45) | KDM4ESSTR4SSTR1 | |
| SCHEMBL13192995 | 0.83 | KDM5A (0.45) | KDM4ESSTR4SSTR1 | |
| SCHEMBL24697188 | 0.81 | HDAC7 (0.43) | KDM4ESSTR4SSTR1SIGMAR1 | |
| SCHEMBL28655868 | 0.80 | XIAP (0.41) | CHRNB4CHRNA3KDM4ESSTR4SSTR1 | |
| SCHEMBL28671243 | 0.80 | XIAP (0.41) | CHRNB4CHRNA3KDM4ESSTR4SSTR1 | |
| SCHEMBL21003809 | 0.79 | EPHX2 (0.47) | CHRNB4CHRNA3EPHX2 | |
| SCHEMBL10283928 | 0.79 | SMYD3 (0.50) | CHRNB4CHRNA3EPHX2DRD2HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013211-B1 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2012-03-14 | — | — | EP | disclosed |