Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7255781 | 1.00 | CYP3A4 (0.43) | CYP3A4CYP2C19TRPA1ABCB11GAA | |
| SCHEMBL11094130 | 0.82 | TRPA1 (0.46) | CYP3A4CYP2C19TRPA1GAASLC6A2 | |
| SCHEMBL2641075 | 0.82 | ABCB11 (0.52) | TRPA1ABCB11 | |
| SCHEMBL10031596 | 0.78 | CYP3A4 (0.44) | CYP3A4CYP2C19GAASLC6A2SLC6A4 | |
| SCHEMBL117057 | 0.78 | CYP3A4 (0.44) | CYP3A4CYP2C19GAASLC6A2SLC6A4 | |
| SCHEMBL17469429 | 0.78 | CYP3A4 (0.44) | CYP3A4CYP2C19GAASLC6A2SLC6A4 | |
| SCHEMBL21786012 | 0.77 | CYP3A4 (0.40) | CYP3A4CYP2C19TRPA1GAASLC6A2 | |
| SCHEMBL23689572 | 0.76 | CYP3A4 (0.43) | CYP3A4CYP2C19TRPA1GAASLC6A2 | |
| SCHEMBL21880656 | 0.76 | CYP3A4 (0.43) | CYP3A4CYP2C19GAASLC6A2SLC6A4 | |
| SCHEMBL11728032 | 0.76 | TAAR1 (0.60) | CYP3A4CYP2C19GAASLC6A2SLC6A4 |
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-2003006462-A1 | PROCESSES FOR THE MANUFACTURE OF THROMBIN INHIBITORS AND N-PYRIDIN-4-YL-OXAZOLIDIN-2-ONES AS INTERMEDIATE THEREFOR | GLAXO GROUP LIMITED (GB) | 2003-01-23 | — | — | WO | disclosed |