Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5306349 | 0.77 | ALDH1A1 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A1SLC6A3 | |
| SCHEMBL5293205 | 0.76 | TAAR1 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A1SLC6A3 | |
| SCHEMBL5293214 | 0.74 | HSD17B10 (0.40) | CYP2D6SLC6A2SLC6A3ALDH1A1GAA | |
| SCHEMBL5294272 | 0.73 | POLB (0.46) | CYP3A4CYP2D6ALDH1A1CYP2C19MAPT | |
| SCHEMBL30311564 | 0.70 | TAAR1 (0.56) | CYP3A4CYP2D6SLC6A2SLC6A1SLC6A3 | |
| SCHEMBL924831 | 0.70 | ALDH1A1 (0.54) | CYP3A4CYP2D6SLC6A2SLC6A1SLC6A3 | |
| SCHEMBL5286204 | 0.70 | KCNH2 (0.44) | ALDH1A1GAAHSD17B10L3MBTL1LMNA | |
| SCHEMBL5308656 | 0.70 | MEN1 (0.42) | CYP3A4CYP2D6SLC6A2ALDH1A1GAA | |
| SCHEMBL6529898 | 0.70 | TAAR1 (0.55) | CYP3A4CYP2D6SLC6A2SLC6A1SLC6A3 | |
| SCHEMBL6528293 | 0.69 | ALDH1A1 (0.52) | CYP3A4CYP2D6SLC6A2SLC6A1SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007012724-A1 | 1,2,4-THIADIAZOLE DERIVATIVES ANTIFUNGAL COMPOUNDS, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF | CYTOMICS SYSTEMS (FR) | 2007-02-01 | — | — | WO | claimed |
| WO-2007012724-A1 | 1,2,4-THIADIAZOLE DERIVATIVES ANTIFUNGAL COMPOUNDS, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF | CYTOMICS SYSTEMS (FR) | 2007-02-01 | — | — | WO | disclosed |