Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CCKAR | P32238 | 3/20 | 0.39 |
| ▸ | CCKBR | P32239 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
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 | 0.88 | BDKRB2 (0.41) | CES2LMNAHTTHDAC3HDAC6 | |
| SCHEMBL7572631 | 0.87 | CES2 (0.42) | CES2CCKARCCKBRHDAC3HDAC6 | |
| SCHEMBL7572458 | 0.85 | BDKRB2 (0.42) | CES2HDAC3HDAC6 | |
| SCHEMBL7572718 | 0.84 | CES2 (0.43) | CES2LMNAHDAC3HDAC6 | |
| SCHEMBL7571711 | 0.82 | CES2 (0.38) | CES2CCKARCCKBRLMNAHDAC3 | |
| SCHEMBL7571381 | 0.81 | HDAC3 (0.42) | CCKARCCKBRHDAC3HDAC6 | |
| SCHEMBL7575515 | 0.80 | ESR1 (0.37) | BACE1LMNAHDAC3HDAC6 | |
| SCHEMBL7571208 | 0.79 | NPC1 (0.44) | CES2NPSR1HDAC3HDAC6 | |
| SCHEMBL7576544 | 0.79 | CES2 (0.44) | CES2LMNAHDAC3HDAC6 | |
| SCHEMBL7571399 | 0.79 | PTPN5 (0.38) | CCKBRHTTHDAC3HDAC6 |
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 |