Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6188068 | 0.86 | BRD4 (0.46) | BRD4SLC6A3SLC6A4 | |
| SCHEMBL10984077 | 0.79 | SLC6A4 (0.44) | SLC6A3SLC6A4 | |
| SCHEMBL6187038 | 0.77 | BRD4 (0.50) | BRD4SLC6A3SLC6A4FFAR2 | |
| SCHEMBL2302536 | 0.76 | BRD4 (0.53) | BRD4SLC6A3FFAR2SLC6A9SLC6A5 | |
| Acetone SCHEMBL27965461 | 0.73 | ALDH1A1 (0.48) | BRD4ALDH1A1HTTPPARGPPARA | |
| SCHEMBL6186379 | 0.72 | PPARG (0.51) | BRD4SLC6A3SLC6A4PPARGPPARA | |
| SCHEMBL933825 | 0.70 | CYP2C9 (0.46) | BRD4SLC6A3SLC6A9SLC6A5ALDH1A1 | |
| SCHEMBL933879 | 0.70 | CYP2C9 (0.54) | SLC6A3SLC6A9SLC6A5ALDH1A1HTT | |
| SCHEMBL6192279 | 0.69 | BRD4 (0.45) | BRD4SLC6A3SLC6A4PPARGPPARA | |
| SCHEMBL10977277 | 0.69 | SLC6A4 (0.52) | BRD4SLC6A3SLC6A4 |
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-1539685-A1 | MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF | Warner-Lambert Company LLC (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004014847-A1 | MCP-1 RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |