Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.75 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | GFER | P55789 | 2/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.50 |
| ▸ | MPO | P05164 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | KDM5A | P29375 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | OGG1 | O15527 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12472745 | 0.86 | HDAC6 (1.00) | HDAC6HDAC8HRH3HDAC1 | |
| SCHEMBL5476059 | 0.81 | LSS (0.56) | HDAC6HDAC8ALDH1A1MAPK1GFER | |
| SCHEMBL7809399 | 0.81 | HDAC8 (0.64) | HDAC6HDAC8HRH3ACHEHTT | |
| SCHEMBL13679679 | 0.81 | HDAC8 (0.68) | HDAC6HDAC8ALDH1A1HRH3ACHE | |
| SCHEMBL28248392 | 0.80 | HDAC6 (0.61) | HDAC6HDAC8MEN1KMT2AKDM4E | |
| SCHEMBL4289838 | 0.79 | HDAC8 (0.66) | HDAC6HDAC8ALDH1A1HRH3ACHE | |
| SCHEMBL540981 | 0.79 | HRH3 (0.71) | HDAC6HDAC8ALDH1A1HRH3MAPT | |
| SCHEMBL1535943 | 0.79 | PLK1 (0.70) | ALDH1A1MAPK1GFERMAPTBLM | |
| SCHEMBL5068516 | 0.79 | HDAC8 (0.65) | HDAC6HDAC8ALDH1A1MAPK1HRH3 | |
| SCHEMBL28641270 | 0.78 | HDAC8 (0.51) | HDAC6HDAC8MAPK1HRH3ACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | disclosed |
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |