Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 11/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11294915 | 0.89 | HDAC6 (0.50) | HDAC1HDAC6HDAC8HPGDSNPC1 | |
| SCHEMBL11297379 | 0.84 | HDAC1 (0.42) | HDAC1HDAC6HDAC8 | |
| SCHEMBL11304432 | 0.81 | HDAC6 (0.40) | HDAC1HDAC6HDAC8 | |
| SCHEMBL11294786 | 0.81 | HDAC6 (0.46) | HDAC1HDAC6HDAC8KDR | |
| SCHEMBL11299454 | 0.80 | HDAC1 (0.44) | HDAC1HDAC6HDAC8ALDH1A1KDR | |
| SCHEMBL11296090 | 0.80 | HDAC6 (0.41) | HDAC1HDAC6HDAC8 | |
| SCHEMBL2230677 | 0.67 | MGAM (0.67) | HDAC1HDAC6HPGDSNPC1RAB9A | |
| SCHEMBL18152160 | 0.66 | HDAC8 (0.37) | HDAC1HDAC6HDAC8HPGDS | |
| SCHEMBL18152061 | 0.66 | HDAC8 (0.37) | HDAC1HDAC6HDAC8HPGDS | |
| SCHEMBL18153955 | 0.66 | HDAC8 (0.35) | HDAC1HDAC6HDAC8HPGDS |
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 |