Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | BDKRB2 | P30411 | 5/20 | 0.38 |
| ▸ | MMP2 | P08253 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7572646 | 0.91 | BDKRB2 (0.41) | CES2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7572458 | 0.90 | BDKRB2 (0.42) | CES2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7571381 | 0.89 | HDAC3 (0.42) | HDAC3HDAC6HDAC1HDAC8BDKRB2 | |
| SCHEMBL7571711 | 0.87 | CES2 (0.38) | CES2HDAC3HDAC6HDAC1HDAC8 | |
| SCHEMBL7576544 | 0.87 | CES2 (0.44) | MAPTCES2HDAC3HDAC6HDAC1 | |
| SCHEMBL7572631 | 0.82 | CES2 (0.42) | SMN1; SMN2CES2HDAC3HDAC6HDAC1 | |
| SCHEMBL7572718 | 0.82 | CES2 (0.43) | MAPTCES2HDAC3HDAC6HDAC1 | |
| SCHEMBL7570886 | 0.81 | PSD (0.37) | NPC1POLBRAB9AHDAC3HDAC6 | |
| SCHEMBL7569645 | 0.81 | DHODH (0.38) | NPC1RAB9AMAPTCES2HDAC3 | |
| SCHEMBL7570328 | 0.79 | CES2 (0.45) | CES2HDAC3HDAC6NPSR1 |
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 |