Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11297505 | 0.89 | HDAC8 (0.37) | HDAC6HDAC1HDAC8NPC1RAB9A | |
| SCHEMBL11305647 | 0.85 | HDAC6 (0.41) | HDAC6HDAC1HDAC8NPC1RAB9A | |
| SCHEMBL11301754 | 0.85 | PSEN1 (0.42) | HDAC6HDAC1HDAC8ALDH1A1 | |
| SCHEMBL11297375 | 0.84 | HDAC8 (0.44) | HDAC6HDAC1HDAC8NPC1LMNA | |
| SCHEMBL11303328 | 0.82 | HDAC8 (0.37) | HDAC6HDAC1HDAC8RAB9ALMNA | |
| SCHEMBL11299083 | 0.82 | HDAC6 (0.42) | HDAC6HDAC1HDAC8NPC1RAB9A | |
| SCHEMBL11296107 | 0.81 | HDAC8 (0.45) | HDAC6HDAC1HDAC8RAB9AKMT2A | |
| SCHEMBL11296595 | 0.81 | HDAC6 (0.42) | HDAC6HDAC1HDAC8 | |
| SCHEMBL11297519 | 0.81 | HDAC6 (0.43) | HDAC6HDAC1HDAC8NPC1RAB9A | |
| SCHEMBL11304336 | 0.81 | HDAC6 (0.42) | HDAC6HDAC1HDAC8 |
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 |