Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 15/20 | 1.00 |
| ▸ | MME | P08473 | 4/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL527973 | 1.00 | CETP (1.00) | CETPMMEMDM4TP53 | |
| SCHEMBL29352140 | 1.00 | CETP (1.00) | CETPMMEMDM4TP53 | |
| Hydrogen Sulfide SCHEMBL28096222 | 0.99 | CETP (0.97) | CETPMMEMDM4TP53 | |
| SCHEMBL9943229 | 0.93 | CETP (0.87) | CETPMMEMDM4TP53 | |
| SCHEMBL14408429 | 0.87 | CETP (0.77) | CETPTP53 | |
| SCHEMBL21252687 | 0.87 | CETP (0.76) | CETPMME | |
| SCHEMBL2490285 | 0.87 | CETP (0.77) | CETPMME | |
| SCHEMBL528151 | 0.87 | CETP (0.77) | CETPMMEMDM4TP53 | |
| SCHEMBL529244 | 0.87 | CETP (1.00) | CETPMMEMDM4TP53 | |
| SCHEMBL1534085 | 0.86 | CETP (0.76) | CETPMME |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2297081-B1 | 1-(2-ETHYL-BUTYL)-CYCLOHEXANECARBOXYLIC ACID ESTER AS AN INTERMEDIATE IN THE PREPARATION OF PHARMACEUTICALLY ACTIVE AMIDES | HOFFMANN LA ROCHE (CH) | 2017-03-08 | — | — | EP | disclosed |