Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 2/20 | 0.41 |
| ▸ | KDM5A | P29375 | 5/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 5/20 | 0.39 |
| ▸ | KDM5B | Q9UGL1 | 5/20 | 0.39 |
| ▸ | KDM4A | O75164 | 2/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.39 |
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL18095288 | 0.86 | ALDH1A1 (0.47) | KDM4EALDH1A1GAAL3MBTL1ALOX15 | |
| SCHEMBL20100142 | 0.81 | NPSR1 (0.39) | KDM4EALDH1A1GAARARBHSD17B10 | |
| Triethylene Glycol SCHEMBL11021539 | 0.79 | CA12 (0.46) | KDM4EGAAL3MBTL1RARBMYC | |
| SCHEMBL23635697 | 0.78 | EPHX2 (0.49) | EPHX2KDM4EALDH1A1GAAL3MBTL1 | |
| Terephthalic Acid SCHEMBL674458 | 0.77 | TSHR (0.55) | ALDH1A1GAARARBALOX15TSHR | |
| Terephthalic Acid SCHEMBL27506116 | 0.77 | TSHR (0.55) | ALDH1A1GAARARBALOX15TSHR | |
| Tetraethylene Glycol SCHEMBL3841162 | 0.77 | TSHR (0.55) | ALDH1A1GAARARBALOX15TSHR | |
| Terephthalic Acid SCHEMBL10383285 | 0.77 | TSHR (0.55) | ALDH1A1GAARARBALOX15TSHR | |
| SCHEMBL5223897 | 0.76 | EPHX2 (0.50) | EPHX2KDM4EALDH1A1GAAL3MBTL1 | |
| 4-Methylbenzoic Acid SCHEMBL28228927 | 0.76 | ALDH1A1 (0.63) | ALDH1A1RARBTSHRMEN1KMT2A |
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-3274340-B1 | INHIBITORS OF HEPATITIS C VIRUS POLYMERASE | COCRYSTAL PHARMA INC (US) | 2019-07-17 | — | — | EP | disclosed |