Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT1A1 | P22309 | 3/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CCKAR | P32238 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | MC5R | P33032 | 1/20 | 0.33 |
| ▸ | MC3R | P41968 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9943500 | 0.91 | UGT1A1 (0.40) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL9943681 | 0.74 | REN (0.39) | OPRK1CYP1A2CYP2D6SMN1; SMN2REN | |
| SCHEMBL4247195 | 0.69 | HDAC3 (0.44) | HCAR2CHRNA7ASAH1 | |
| SCHEMBL893430 | 0.68 | HDAC3 (0.40) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL4252327 | 0.68 | LTB4R2 (0.53) | CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL893476 | 0.68 | CYP3A4 (0.45) | CYP2D6 | |
| SCHEMBL9943670 | 0.67 | CYP3A4 (0.39) | CYP2D6SMN1; SMN2REN | |
| SCHEMBL9943809 | 0.66 | CCR6 (0.44) | ANPEPCYP2D6SMN1; SMN2REN | |
| SCHEMBL4247398 | 0.66 | CYP3A4 (0.48) | CYP2D6 | |
| SCHEMBL4248621 | 0.66 | CYP3A4 (0.52) | — |
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 |