Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL11306357 | 0.91 | ALDH1A1 (0.46) | HDAC6HDAC8ALDH1A1NPC1RAB9A | |
| SCHEMBL11297424 | 0.90 | HDAC1 (0.43) | HDAC6HDAC8ALDH1A1NPC1RAB9A | |
| SCHEMBL11301404 | 0.87 | HDAC8 (0.47) | HDAC6HDAC8ALDH1A1NPC1KDM4E | |
| SCHEMBL11301397 | 0.86 | HDAC1 (0.39) | HDAC6HDAC8HDAC1HDAC3HDAC2 | |
| SCHEMBL11298752 | 0.83 | HDAC8 (0.42) | HDAC6HDAC8HDAC1 | |
| SCHEMBL11302647 | 0.83 | HDAC6 (0.43) | HDAC6HDAC8NPC1HDAC1KMT2A | |
| SCHEMBL11296174 | 0.82 | HDAC8 (0.44) | HDAC6HDAC8NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11297519 | 0.81 | HDAC6 (0.43) | HDAC6HDAC8ALDH1A1NPC1RAB9A | |
| SCHEMBL11304336 | 0.81 | HDAC6 (0.42) | HDAC6HDAC8HDAC1HDAC3HDAC2 | |
| SCHEMBL11299083 | 0.81 | HDAC6 (0.42) | HDAC6HDAC8NPC1RAB9ASMN1; SMN2 |
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 |