Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22861240 | 0.83 | CA2 (0.46) | CA2LTA4HALDH1A1CA1MEN1 | |
| SCHEMBL22861236 | 0.83 | HDAC3 (0.46) | CA2LTA4HALDH1A1LMNACA1 | |
| SCHEMBL10655752 | 0.79 | TSHR (0.50) | CA2LTA4HALDH1A1KDM4ELMNA | |
| SCHEMBL26730641 | 0.77 | SIGMAR1 (0.46) | LTA4HALDH1A1CYP3A4MAPTMEN1 | |
| SCHEMBL918029 | 0.76 | HDAC3 (0.51) | CA2LTA4HALDH1A1LMNACA1 | |
| SCHEMBL27273867 | 0.76 | HDAC3 (0.47) | CA2LTA4HHTT | |
| SCHEMBL11227970 | 0.76 | TDP1 (0.40) | CA2LTA4HALDH1A1GAAMEN1 | |
| SCHEMBL11686835 | 0.75 | HTT (0.48) | CA2KDM4ELMNACA1MEN1 | |
| SCHEMBL1794281 | 0.75 | AOC3 (0.64) | CA2AOC3ALDH1A1CARM1PRMT6 | |
| SCHEMBL833414 | 0.75 | AOC3 (0.64) | CA2AOC3ALDH1A1CARM1PRMT6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2084519-A2 | ADVANCED DRUG DEVELOPMENT AND MANUFACTURING | Los Alamos National Security, LLC (US) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008127291-A2 | ADVANCED DRUG DEVELOPMENT AND MANUFACTURING | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2008-10-23 | — | — | WO | disclosed |