Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | LDHB | P07195 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9108696 | 0.83 | AKR1C3 (0.44) | AKR1C3AKR1C2PTGS2CSNK2A2CSNK2B | |
| SCHEMBL28119075 | 0.79 | PTGS2 (0.44) | PTGS2ALDH1A1MAPTTSHRMAPK1 | |
| SCHEMBL2162247 | 0.75 | ALOX5 (0.53) | AKR1C3AKR1C2PTGS2ALDH1A1TSHR | |
| SCHEMBL1339762 | 0.73 | BCAT2 (0.51) | PTGS2ALDH1A1MAPTTSHRMAPK1 | |
| SCHEMBL13792081 | 0.72 | ALDH1A1 (0.41) | PTGS2ALDH1A1MAPTTSHRMAPK1 | |
| Water SCHEMBL11757982 | 0.72 | BCAT2 (0.41) | AKR1C3AKR1C2PTGS2ALDH1A1MAPT | |
| SCHEMBL3048188 | 0.70 | ALOX5 (0.40) | AKR1C3AKR1C2PTGS2ALDH1A1MAPT | |
| SCHEMBL11263884 | 0.70 | PTGS2 (0.38) | AKR1C3AKR1C2PTGS2ALDH1A1MAPT | |
| SCHEMBL28755926 | 0.70 | PTGS2 (0.51) | AKR1C3AKR1C2PTGS2ALDH1A1MAPT | |
| SCHEMBL6713787 | 0.69 | PTGS2 (0.37) | AKR1C3AKR1C2PTGS2ALDH1A1MAPT |
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-2004060859-A2 | NOVEL AMIDES THAT ACTIVATE SOLUBLE GUANYLATE CYCLASE | ABBOTT LABORATORIES (US) | 2004-07-22 | — | — | WO | disclosed |