Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A2 | Q05940 | 10/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2198153 | 0.89 | SLC18A2 (0.43) | SLC18A2SLC6A3HTR2ARORC | |
| SCHEMBL2199609 | 0.87 | SLC6A3 (0.47) | SLC18A2SLC6A3HTR2ARORC | |
| SCHEMBL2198983 | 0.82 | RORC (0.43) | SLC18A2SLC6A3HTR2ARORC | |
| SCHEMBL2197844 | 0.82 | SLC6A3 (0.43) | SLC18A2SLC6A3HTR2ARORC | |
| SCHEMBL14276807 | 0.81 | TSHR (0.44) | SLC6A3 | |
| SCHEMBL2198121 | 0.81 | TSHR (0.44) | SLC6A3 | |
| SCHEMBL2762002 | 0.80 | PDE4B (0.45) | SLC18A2SLC6A3HTR2AMAPTPKM | |
| SCHEMBL2196703 | 0.80 | PDE4A (0.44) | SLC18A2SLC6A3HTR2AMAPTPKM | |
| SCHEMBL2197505 | 0.79 | RORC (0.68) | SLC18A2SLC6A3HTR2ARORC | |
| SCHEMBL2198761 | 0.78 | HTT (0.41) | SLC18A2SLC6A3MAPTPKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2398769-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094678-A1 | NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |