Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 | P30411 | 6/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7572458 | 0.97 | BDKRB2 (0.42) | BDKRB2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7571381 | 0.93 | HDAC3 (0.42) | BDKRB2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7572718 | 0.91 | CES2 (0.43) | BDKRB2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7572631 | 0.91 | CES2 (0.42) | BDKRB2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7571208 | 0.91 | NPC1 (0.44) | BDKRB2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7571711 | 0.91 | CES2 (0.38) | BDKRB2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7576544 | 0.91 | CES2 (0.44) | BDKRB2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7570328 | 0.88 | CES2 (0.45) | HDAC3HDAC6CES2LMNAHTT | |
| SCHEMBL7575515 | 0.86 | ESR1 (0.37) | HDAC3HDAC6HDAC8CYP26A1LMNA | |
| SCHEMBL7571399 | 0.85 | PTPN5 (0.38) | HDAC3HDAC6CYP26A1HTT |
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 |