Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT1A1 | P22309 | 3/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | CCKAR | P32238 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | GHSR | Q92847 | 1/20 | 0.44 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 17/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL4251218 | 0.96 | UGT1A1 (0.45) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL4250083 | 0.89 | UGT1A1 (0.43) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL4248623 | 0.89 | CYP3A4 (0.45) | CYP3A4 | |
| SCHEMBL4252267 | 0.86 | CYP3A4 (0.41) | CYP3A4 | |
| SCHEMBL893753 | 0.84 | CYP3A4 (0.45) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL5615411 | 0.83 | UGT1A1 (0.45) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL4251970 | 0.82 | UGT1A1 (0.42) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL4550578 | 0.82 | CYP3A4 (0.57) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL4962251 | 0.82 | CYP3A4 (0.57) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL4251155 | 0.81 | CYP3A4 (0.45) | CYP3A4 |
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 |