Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.56 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6920099 | 1.00 | DPP4 (0.56) | DPP4AOC3F2KDM4EALDH1A1 | |
| SCHEMBL6920104 | 1.00 | DPP4 (0.56) | DPP4AOC3F2KDM4EALDH1A1 | |
| SCHEMBL5173218 | 0.85 | DPP4 (0.50) | DPP4AOC3F2KDM4EALDH1A1 | |
| SCHEMBL7586902 | 0.83 | HTR2A (0.52) | AOC3KDM4EALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL17571131 | 0.82 | AOC3 (0.53) | DPP4AOC3F2KDM4EALDH1A1 | |
| SCHEMBL19614378 | 0.82 | AOC3 (0.53) | DPP4AOC3F2KDM4EALDH1A1 | |
| SCHEMBL28826602 | 0.78 | CYP3A4 (0.39) | DPP4ALDH1A1SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL26308183 | 0.78 | DPP4 (0.46) | DPP4AOC3F2KDM4ESLC6A2 | |
| SCHEMBL14350621 | 0.77 | KDM4E (0.57) | DPP4AOC3F2KDM4EALDH1A1 | |
| SCHEMBL29061569 | 0.77 | DPP4 (0.50) | DPP4AOC3F2KDM4EALDH1A1 |
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-2004031168-A2 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OPTICALLY ACTIVE 3-AMINO-1-(2-THIENYL)-1-PROPANOL DERIVATIVES | LONZA AG (CH) | 2004-04-15 | — | — | WO | disclosed |