Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.34 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7571222 | 0.96 | NPC1 (0.38) | DHODHHSP90AA1GAAMAPTKMT2A | |
| SCHEMBL7572458 | 0.84 | BDKRB2 (0.42) | CES2BDKRB2HDAC3HDAC1HDAC8 | |
| SCHEMBL7571381 | 0.83 | HDAC3 (0.42) | BDKRB2HDAC3HDAC1HDAC8HDAC6 | |
| SCHEMBL7571208 | 0.81 | NPC1 (0.44) | GAAMAPTCES2NPC1RAB9A | |
| SCHEMBL7576544 | 0.81 | CES2 (0.44) | MAPTKMT2ACES2BDKRB2HDAC3 | |
| SCHEMBL7571711 | 0.81 | CES2 (0.38) | CES2BDKRB2HDAC3HDAC1HDAC8 | |
| SCHEMBL7572631 | 0.76 | CES2 (0.42) | GAACES2BDKRB2HDAC3HDAC1 | |
| SCHEMBL7572718 | 0.76 | CES2 (0.43) | MAPTKMT2ACES2BDKRB2HDAC3 | |
| SCHEMBL7570886 | 0.75 | PSD (0.37) | KMT2ATDP1NPC1RAB9ABDKRB2 | |
| SCHEMBL7570328 | 0.74 | CES2 (0.45) | CES2HDAC3HDAC6 |
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 |