Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.56 |
| ▸ | CTSD | P07339 | 2/20 | 0.56 |
| ▸ | UGT1A1 | P22309 | 4/20 | 0.55 |
| ▸ | MLNR | O43193 | 2/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.55 |
| ▸ | SLCO2B1 | O94956 | 2/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.55 |
| ▸ | CCKAR | P32238 | 2/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.55 |
| ▸ | GHSR | Q92847 | 2/20 | 0.55 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.55 |
| ▸ | SLCO1B1 | Q9Y6L6 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.51 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.51 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.51 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4249334 | 1.00 | CYP3A4 (0.56) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL4962251 | 0.98 | CYP3A4 (0.57) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL4550578 | 0.98 | CYP3A4 (0.57) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL893684 | 0.95 | CYP3A4 (0.61) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL893354 | 0.95 | CYP3A4 (0.62) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL893685 | 0.95 | CYP3A4 (0.61) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL893355 | 0.95 | CYP3A4 (0.62) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL893204 | 0.95 | CYP3A4 (0.61) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL893203 | 0.95 | CYP3A4 (0.61) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL893840 | 0.94 | CYP3A4 (0.55) | CYP3A4CTSDUGT1A1MLNRNR1I2 |
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 | claimed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | claimed |