Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 5/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | PIM1 | P11309 | 2/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.31 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | PAK4 | O96013 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15743990 | 0.75 | CYP3A4 (0.37) | ALOX5CYP3A4TSHRHTR3EHTR3B | |
| SCHEMBL10244710 | 0.74 | ALDH1A1 (0.42) | TSHRGRM5PARP1AURKAALDH1A1 | |
| SCHEMBL10244194 | 0.73 | GRM5 (0.40) | ALOX5TSHRGRM5AURKAALDH1A1 | |
| SCHEMBL13413309 | 0.71 | GRM5 (0.39) | TSHRGRM5ALDH1A1 | |
| SCHEMBL1529100 | 0.71 | GRM5 (0.39) | TSHRGRM5ALDH1A1 | |
| SCHEMBL13394573 | 0.71 | GRM5 (0.39) | TSHRGRM5ALDH1A1 | |
| SCHEMBL10243305 | 0.71 | GRM5 (0.39) | TSHRGRM5ALDH1A1 | |
| SCHEMBL13394575 | 0.71 | GRM5 (0.39) | TSHRGRM5ALDH1A1 | |
| SCHEMBL12696949 | 0.71 | GRM5 (0.53) | ALOX5TSHRGRM5ALDH1A1 | |
| SCHEMBL14214703 | 0.71 | GRM5 (0.53) | ALOX5TSHRGRM5ALDH1A1 |
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-1765793-B1 | ANACETRAPIB AND OTHER CETP INHIBITPRS | MERCK SHARP & DOHME (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2415759-A1 | CETP inhibitors | Merck Sharp & Dohme Corporation (US) | 2012-02-08 | — | — | EP | disclosed |