Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 11/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.49 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11302583 | 0.85 | SLC6A2 (0.53) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL11306334 | 0.81 | HDAC1 (0.45) | HDAC1HDAC6HDAC8HDAC3HDAC4 | |
| SCHEMBL11447659 | 0.77 | CHRM2 (0.58) | CHRM2CHRM3OPRM1OPRD1OPRK1 | |
| SCHEMBL11305529 | 0.77 | SLC6A4 (0.46) | HDAC6HDAC8HDAC3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL9785700 | 0.76 | CHRM2 (0.57) | CHRM2CHRM3OPRM1OPRD1OPRK1 | |
| SCHEMBL11028767 | 0.75 | NR1H3 (0.47) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL673384 | 0.75 | HDAC6 (0.63) | HDAC1HDAC6HDAC8HDAC3HDAC4 | |
| SCHEMBL11301763 | 0.74 | CA1 (0.51) | HDAC1HDAC6HDAC8CHRM2CHRM3 | |
| SCHEMBL11301824 | 0.73 | KDM4E (0.39) | HDAC1HDAC6HDAC8SLC6A2SLC6A4 | |
| SCHEMBL11300763 | 0.72 | HDAC8 (0.42) | HDAC8 |
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 |