Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.48 |
| ▸ | PTGES | O14684 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11028767 | 0.94 | NR1H3 (0.47) | MCL1ESR1HDAC6HDAC8HDAC3 | |
| SCHEMBL11299418 | 0.87 | HDAC8 (0.44) | HDAC6HDAC8HDAC3MAPTHDAC11 | |
| SCHEMBL11305637 | 0.87 | HDAC6 (0.57) | ESR1HDAC6HDAC8HDAC3MEN1 | |
| SCHEMBL11306334 | 0.77 | HDAC1 (0.45) | HDAC6HDAC8HDAC3MEN1KMT2A | |
| SCHEMBL11302583 | 0.74 | SLC6A2 (0.53) | HDAC6HDAC8HDAC3MEN1KMT2A | |
| SCHEMBL11300778 | 0.72 | HDAC1 (0.49) | HDAC6HDAC8HDAC3HDAC1SLC6A2 | |
| Hydrochloric Acid SCHEMBL9785714 | 0.70 | ESR1 (0.58) | MCL1ESR1MEN1KMT2AKDM4E | |
| SCHEMBL11301824 | 0.70 | KDM4E (0.39) | HDAC6HDAC8MEN1KMT2AKDM4E | |
| SCHEMBL11300763 | 0.69 | HDAC8 (0.42) | HDAC8MEN1KMT2AKDM4EALOX12 | |
| SCHEMBL11298741 | 0.68 | SLC6A4 (0.45) | SLC6A2SLC6A4CYP2D6SLC6A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2665706-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-27 | — | — | EP | claimed |
| WO-2012098132-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | claimed |
| EP-2665706-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012098132-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | disclosed |