Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL11297519 | 0.93 | HDAC6 (0.43) | HDAC8NPC1HDAC6HDAC1KDM4E | |
| SCHEMBL11297424 | 0.89 | HDAC1 (0.43) | HDAC8NPC1HDAC6HDAC1ALDH1A1 | |
| SCHEMBL11297369 | 0.87 | HDAC6 (0.40) | HDAC8NPC1HDAC6HDAC1KDM4E | |
| SCHEMBL11296174 | 0.87 | HDAC8 (0.44) | HDAC8NPC1HDAC6HDAC1KMT2A | |
| SCHEMBL11304336 | 0.84 | HDAC6 (0.42) | HDAC8HDAC6HDAC1MMP13 | |
| SCHEMBL11302647 | 0.83 | HDAC6 (0.43) | HDAC8NPC1HDAC6HDAC1KMT2A | |
| SCHEMBL11298752 | 0.83 | HDAC8 (0.42) | HDAC8HDAC6HDAC1 | |
| SCHEMBL11297505 | 0.82 | HDAC8 (0.37) | HDAC8NPC1HDAC6HDAC1KMT2A | |
| SCHEMBL11300469 | 0.82 | HDAC6 (0.47) | HDAC8HDAC6HDAC1KMT2AMEN1 | |
| SCHEMBL11301397 | 0.81 | HDAC1 (0.39) | HDAC8HDAC6HDAC1 |
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 |