Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL347778 | 0.86 | CES2 (0.41) | RPS6KA3JAK3CES2NFE2L2ALDH1A1 | |
| SCHEMBL3582053 | 0.78 | RXRA (0.33) | RPS6KA3JAK3CES2NFE2L2ALDH1A1 | |
| SCHEMBL825745 | 0.78 | CES2 (0.46) | CES2ALDH1A1IDO1TDO2 | |
| SCHEMBL10316303 | 0.77 | TP53 (0.42) | RPS6KA3JAK3CES2NFE2L2 | |
| SCHEMBL22572970 | 0.77 | TSHR (0.42) | RPS6KA3JAK3CES2ALDH1A1IDO1 | |
| SCHEMBL16951465 | 0.77 | RPS6KA3 (0.31) | RPS6KA3JAK3CES2NFE2L2 | |
| SCHEMBL20384786 | 0.77 | GABRA1 (0.38) | RPS6KA3JAK3CES2NFE2L2ALDH1A1 | |
| SCHEMBL13228707 | 0.77 | AHR (0.48) | RPS6KA3JAK3CES2ALDH1A1 | |
| SCHEMBL1662267 | 0.77 | NOTUM (0.40) | RPS6KA3JAK3CES2NFE2L2IDO1 | |
| SCHEMBL31736860 | 0.77 | CES2 (0.34) | RPS6KA3JAK3CES2NFE2L2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1942428-A | CETP inhibitors | MERCK & CO INC (US) | 2007-04-04 | — | — | CN | disclosed |