Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25675853 | 0.77 | ALDH1A1 (0.38) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL25659968 | 0.77 | ALDH1A1 (0.38) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL25675874 | 0.77 | ALDH1A1 (0.38) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL25659969 | 0.77 | ALDH1A1 (0.38) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL31136387 | 0.74 | PDPK1 (0.44) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL7305807 | 0.73 | ALDH1A1 (0.39) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL7234630 | 0.73 | ALDH1A1 (0.39) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL7305822 | 0.73 | ALDH1A1 (0.39) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL25674510 | 0.72 | ALDH1A1 (0.33) | SLC6A2SLC6A4SLC6A3MEN1KMT2A | |
| SCHEMBL25674513 | 0.72 | ALDH1A1 (0.33) | SLC6A2SLC6A4SLC6A3MEN1KMT2A |
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-0617968-B1 | HIV protease inhibitors in pharmaceutical combinations for the treatment of AIDS | MERCK & CO INC (US) | 2003-01-08 | — | — | EP | disclosed |