Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ACP3 | P15309 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5010699 | 0.79 | SLC6A4 (0.64) | SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28039356 | 0.76 | HTR1B (0.35) | HPGD | |
| SCHEMBL28039082 | 0.73 | ALDH1A1 (0.34) | ALDH1A1CYP2C9CYP2C19CYP1A2ACP3 | |
| SCHEMBL16721029 | 0.73 | SLC6A4 (0.64) | SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28039359 | 0.73 | SLC6A4 (0.47) | SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL5010133 | 0.72 | SLC6A4 (0.58) | SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6441031 | 0.72 | SLC6A4 (0.37) | SLC6A4ALDH1A1KIF11CYP2C9CYP2C19 | |
| SCHEMBL28039338 | 0.71 | SLC6A4 (0.46) | SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28039335 | 0.71 | ALDH1A1 (0.35) | ALDH1A1KIF11CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28039357 | 0.71 | SLC6A4 (0.46) | SLC6A4ALDH1A1CYP2C9CYP2C19CYP1A2 |
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-1150946-B1 | ARYLALKANOYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | AVENTIS PHARMA GMBH (DE) | 2005-03-30 | — | — | EP | disclosed |