Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 18/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 17/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | MBTPS1 | Q14703 | 1/20 | 0.40 |
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 | 0.85 | HDAC8 (0.42) | MBTPS1 | |
| SCHEMBL11306334 | 0.84 | HDAC1 (0.45) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL11301824 | 0.81 | KDM4E (0.39) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL11304366 | 0.81 | SLC6A2 (0.44) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL11301603 | 0.78 | HDAC6 (0.38) | — | |
| SCHEMBL11304997 | 0.75 | HDAC6 (0.33) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL11301418 | 0.75 | SLC6A4 (0.39) | SLC6A4SLC6A2SLC6A3KCNH2 | |
| SCHEMBL11302583 | 0.74 | SLC6A2 (0.53) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL11294789 | 0.72 | BRD4 (0.50) | SLC6A4SLC6A2 | |
| SCHEMBL11299418 | 0.72 | HDAC8 (0.44) | — |
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 |