Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.44 |
| ▸ | KLK7 | P49862 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RGS4 | P49798 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7572718 | 0.95 | CES2 (0.43) | CES2KLK7MAPTLMNABDKRB2 | |
| SCHEMBL7572646 | 0.91 | BDKRB2 (0.41) | CES2LMNABDKRB2HDAC3HDAC6 | |
| SCHEMBL7572458 | 0.90 | BDKRB2 (0.42) | CES2BDKRB2HDAC3HDAC6HDAC1 | |
| SCHEMBL7571381 | 0.89 | HDAC3 (0.42) | BDKRB2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7571711 | 0.87 | CES2 (0.38) | CES2LMNABDKRB2HDAC3HDAC6 | |
| SCHEMBL7571208 | 0.87 | NPC1 (0.44) | CES2MAPTBDKRB2HDAC3HDAC6 | |
| SCHEMBL7575808 | 0.84 | CES2 (0.41) | CES2LMNABDKRB2HDAC3HDAC6 | |
| SCHEMBL7576399 | 0.83 | CNR2 (0.35) | CES2BDKRB2HDAC3HDAC6HDAC1 | |
| SCHEMBL7576579 | 0.83 | RARB (0.44) | MAPTLMNABDKRB2KDM4EMEN1 | |
| SCHEMBL7572631 | 0.82 | CES2 (0.42) | CES2BDKRB2HDAC3HDAC6HDAC1 |
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 |