Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7576399 | 0.96 | CNR2 (0.35) | CNR2HDAC3HDAC6PDE3BPDE3A | |
| SCHEMBL7571399 | 0.90 | PTPN5 (0.38) | CYP26A1HDAC3HDAC6ESR2PTPN5 | |
| SCHEMBL7570886 | 0.85 | PSD (0.37) | HDAC3HDAC6CXCR2PTPN5 | |
| SCHEMBL7571248 | 0.85 | HDAC3 (0.41) | CYP26A1HDAC3HDAC6 | |
| SCHEMBL7572718 | 0.84 | CES2 (0.43) | HDAC3HDAC6CES2 | |
| SCHEMBL7572646 | 0.82 | BDKRB2 (0.41) | CYP26A1HDAC3HDAC6CES2 | |
| SCHEMBL7575515 | 0.82 | ESR1 (0.37) | CYP26A1HDAC3HDAC6ESR1ESR2 | |
| SCHEMBL7572458 | 0.80 | BDKRB2 (0.42) | HDAC3HDAC6CES2 | |
| SCHEMBL7572631 | 0.79 | CES2 (0.42) | CYP26A1HDAC3HDAC6MMP1MMP9 | |
| SCHEMBL7576544 | 0.79 | CES2 (0.44) | HDAC3HDAC6CES2 |
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-2002085369-A1 | INHIBITORS OF ANTHRAX LETHAL FACTOR ACTIVITY | STRUCTURAL BIOINFORMATICS, INC. (US) | 2002-10-31 | — | — | WO | disclosed |