Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL6688082 | 0.82 | MEN1 (0.32) | ALDH1A1 | |
| SCHEMBL6689570 | 0.74 | CHRM2 (0.33) | ALDH1A1 | |
| SCHEMBL25933333 | 0.69 | MEN1 (0.33) | ALDH1A1 | |
| SCHEMBL8603098 | 0.68 | CYP3A4 (0.40) | SLC6A4SLC6A3SLC6A2ALDH1A1L3MBTL1 | |
| SCHEMBL424765 | 0.68 | — | — | |
| SCHEMBL2671071 | 0.68 | — | — | |
| SCHEMBL11885704 | 0.67 | MEN1 (0.37) | ALDH1A1 | |
| SCHEMBL4397677 | 0.67 | — | — | |
| SCHEMBL17888865 | 0.64 | MEN1 (0.33) | — | |
| SCHEMBL18747339 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004069145-A2 | ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2004-08-19 | — | — | WO | disclosed |