Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.45 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | MLNR | O43193 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4251351 | 0.88 | CYP3A4 (0.44) | CYP3A4CYP2D6MEN1SLC22A2SLC22A1 | |
| SCHEMBL4245252 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2D6 | |
| SCHEMBL894139 | 0.81 | CYP3A4 (0.53) | CYP3A4 | |
| SCHEMBL4251990 | 0.78 | CYP3A4 (0.61) | CYP3A4CYP2D6MEN1SLC22A2SLC22A1 | |
| SCHEMBL4243906 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2D6MEN1SLC22A2SLC22A1 | |
| SCHEMBL893249 | 0.77 | CYP3A4 (0.65) | CYP3A4CYP2D6MEN1SLC22A2SLC22A1 | |
| SCHEMBL892851 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2D6MEN1SLC22A2SLC22A1 | |
| SCHEMBL892849 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2D6MEN1SLC22A2SLC22A1 | |
| SCHEMBL893483 | 0.75 | TDP1 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9943723 | 0.75 | CYP3A4 (0.44) | CYP3A4CYP2D6MEN1SLC22A2SLC22A1 |
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-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | disclosed |