Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | GLS | O94925 | 2/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | SLC13A5 | Q86YT5 | 2/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7639674 | 0.85 | ALDH1A1 (0.43) | SLC13A5CA1CA2 | |
| SCHEMBL7635490 | 0.85 | ALDH1A1 (0.43) | SLC13A5CA1CA2 | |
| SCHEMBL8008690 | 0.83 | PPARG (0.43) | CYP17A1DRD2PTGDR2GLSADAMTS4 | |
| SCHEMBL7390375 | 0.80 | CYP17A1 (0.57) | CYP17A1DRD2PTGDR2GLSPPARG | |
| SCHEMBL12528285 | 0.79 | CYP17A1 (0.53) | CYP17A1DRD2PTGDR2GLSPPARG | |
| SCHEMBL1000732 | 0.79 | NR1H4 (0.58) | CYP17A1DRD2PTGDR2GLSPPARG | |
| SCHEMBL20784539 | 0.78 | CYP17A1 (0.54) | CYP17A1DRD2PTGDR2GLSADAMTS4 | |
| SCHEMBL7998719 | 0.77 | SLC13A5 (0.46) | SLC13A5CA2 | |
| SCHEMBL7998721 | 0.77 | SLC13A5 (0.46) | SLC13A5CA2 | |
| SCHEMBL7042995 | 0.77 | DRD2 (0.59) | CYP17A1DRD2PTGDR2GLSPPARG |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6046355-A | TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS | WARNER-LAMBERT COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0935597-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1999-08-18 | — | — | EP | disclosed |
| WO-1998019997-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |