Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11300763 | 0.88 | HDAC8 (0.42) | HDAC8ALOX15KDM4EMEN1LMNA | |
| SCHEMBL11301824 | 0.86 | KDM4E (0.39) | HDAC1HDAC6HDAC8SLC6A2SLC6A4 | |
| SCHEMBL11298741 | 0.84 | SLC6A4 (0.45) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL11302583 | 0.84 | SLC6A2 (0.53) | HDAC1HDAC6HDAC8SLC6A2SLC6A4 | |
| SCHEMBL7343934 | 0.81 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL11300778 | 0.81 | HDAC1 (0.49) | HDAC1HDAC6HDAC8SLC6A2SLC6A4 | |
| SCHEMBL11028767 | 0.81 | NR1H3 (0.47) | HDAC1HDAC6HDAC8SLC6A2SLC6A4 | |
| SCHEMBL11304366 | 0.79 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6826483 | 0.79 | OPRD1 (0.67) | OPRM1OPRD1 | |
| SCHEMBL11297190 | 0.78 | HDAC6 (0.44) | HDAC1HDAC6HDAC8HDAC3HDAC2 |
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 |